Benzene and substituted derivatives
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p-Anisaldehyde, 99+%
CAS: 123-11-5 Formula molecolare: C8H8O2 Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
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| Sinonimo | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
|---|---|
| Numero MDL | MFCD00003385 |
| PubChem CID | 31244 |
| Formula molecolare | C8H8O2 |
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| SMILES | COC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
Isoeugenol, 98+%, mixture of cis/trans isomers
CAS: 97-54-1 Formula molecolare: C10H12O2 Molecular Weight (g/mol): 164.20 Numero MDL: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Sinonimo: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O
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| Sinonimo | isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene |
|---|---|
| Numero MDL | MFCD00009285 |
| PubChem CID | 853433 |
| Formula molecolare | C10H12O2 |
| CAS | 97-54-1 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:50545 |
| SMILES | COC1=CC(\C=C\C)=CC=C1O |
| InChI Key | BJIOGJUNALELMI-ONEGZZNKSA-N |
4-Dimethylaminobenzaldehyde, 99+%
CAS: 100-10-7 Formula molecolare: C9H11NO Molecular Weight (g/mol): 149.19 Numero MDL: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Sinonimo: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
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| Sinonimo | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
|---|---|
| Numero MDL | MFCD00003381 |
| PubChem CID | 7479 |
| Formula molecolare | C9H11NO |
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water
3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol
| Peso formulazione | 172.57 |
|---|---|
| Formula lineare | ClC6H4CO3H |
| Pericolo per la salute 1 | GHS Signal Word: Danger |
| Pericolo per la salute 2 | GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. Heating may cause a fire. |
| Pericolo per la salute 3 | GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep/Store away from clothing/ combustible materials. IF SWALLOWED: rin |
| Forma fisica | Moist Powder |
| Molecular Weight (g/mol) | 172.56 |
| ChEBI | CHEBI:52091 |
| InChI Key | NHQDETIJWKXCTC-UHFFFAOYSA-N |
| Gravità specifica | 0.56 |
| PubChem CID | 70297 |
| Percent Purity | 70-75% |
| Fieser | 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76 |
| RTECS Number | SD9470000 |
| Sinonimo | 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid |
| Numero MDL | MFCD00002127 |
| Nota nome | 70 - 75% |
| Colore | White |
| SMILES | OOC(=O)C1=CC=CC(Cl)=C1 |
| Densità | 0.5600g/mL |
| CAS min. % | 25.0 |
| Intervallo percentuale saggio | di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC) |
| Formula molecolare | C7H5ClO3 |
| Informazioni di solubilità | Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone |
| CAS | 7732-18-5 |
| Indice di Merck | 15,2154 |
| Punto di fusione | 92.0°C to 94.0°C |
| TSCA | TSCA |
| IUPAC Name | acido 3-cloroperbenzoico |
| Beilstein | 09,IV,972 |
| EINECS Number | 213-322-3 |
| CAS max % | 30.0 |
Benzophenone, 99%, pure
CAS: 119-61-9 Formula molecolare: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Sinonimo: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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| Sinonimo | benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone |
|---|---|
| PubChem CID | 3102 |
| Formula molecolare | C13H10O |
| CAS | 119-61-9 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:41308 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| IUPAC Name | diphenylmethanone |
| InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Formula molecolare: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Sinonimo: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
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| Sinonimo | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
|---|---|
| PubChem CID | 243 |
| Formula molecolare | C7H6O2 |
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
4-Dimethylaminobenzaldehyde, ACS reagent
CAS: 100-10-7 Formula molecolare: C9H11NO Molecular Weight (g/mol): 149.19 Numero MDL: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Sinonimo: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
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| Sinonimo | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
|---|---|
| Numero MDL | MFCD00003381 |
| PubChem CID | 7479 |
| Formula molecolare | C9H11NO |
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
DL-alpha-Methoxyphenylacetic acid, 99%
CAS: 7021-09-2 Formula molecolare: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Sinonimo: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O
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| Sinonimo | methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid |
|---|---|
| PubChem CID | 107202 |
| Formula molecolare | C9H10O3 |
| CAS | 7021-09-2 |
| Molecular Weight (g/mol) | 166.18 |
| SMILES | COC(C1=CC=CC=C1)C(=O)O |
| IUPAC Name | 2-methoxy-2-phenylacetic acid |
| InChI Key | DIWVBIXQCNRCFE-UHFFFAOYNA-N |
p-Anisic acid, 98%
CAS: 100-09-4 Formula molecolare: C8H8O3 Molecular Weight (g/mol): 152.15 Numero MDL: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Sinonimo: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
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| Sinonimo | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
|---|---|
| Numero MDL | MFCD00002542 |
| PubChem CID | 7478 |
| Formula molecolare | C8H8O3 |
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
trans-Anethole, 99%
CAS: 4180-23-8 Formula molecolare: C10H12O Molecular Weight (g/mol): 148.2 Numero MDL: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Sinonimo: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
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| Sinonimo | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
|---|---|
| Numero MDL | MFCD00009284 |
| PubChem CID | 637563 |
| Formula molecolare | C10H12O |
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
p-Tolualdehyde, 99+%
CAS: 104-87-0 Formula molecolare: C8H8O Molecular Weight (g/mol): 120.15 Numero MDL: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Sinonimo: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O
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| Sinonimo | p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde |
|---|---|
| Numero MDL | MFCD00006954 |
| PubChem CID | 7725 |
| Formula molecolare | C8H8O |
| CAS | 104-87-0 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:28617 |
| SMILES | CC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-methylbenzaldehyde |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
Veratrole, 99+%
CAS: 91-16-7 Formula molecolare: C8H10O2 Molecular Weight (g/mol): 138.17 Numero MDL: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Sinonimo: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC
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| Sinonimo | veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy |
|---|---|
| Numero MDL | MFCD00008357 |
| PubChem CID | 7043 |
| Formula molecolare | C8H10O2 |
| CAS | 91-16-7 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:59114 |
| SMILES | COC1=CC=CC=C1OC |
| IUPAC Name | 1,2-dimethoxybenzene |
| InChI Key | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Formula molecolare: C9H10O3 Molecular Weight (g/mol): 166.18 Numero MDL: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Sinonimo: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
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| Sinonimo | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
|---|---|
| Numero MDL | MFCD00002353 |
| PubChem CID | 8434 |
| Formula molecolare | C9H10O3 |
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:86616 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
Iodobenzene diacetate, 98%
CAS: 3240-34-4 Formula molecolare: C10H11IO4 Molecular Weight (g/mol): 322.09 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Sinonimo: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
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| Sinonimo | iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo |
|---|---|
| PubChem CID | 76724 |
| Formula molecolare | C10H11IO4 |
| CAS | 3240-34-4 |
| Molecular Weight (g/mol) | 322.09 |
| SMILES | CC(=O)OI(C1=CC=CC=C1)OC(=O)C |
| IUPAC Name | [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate |
| InChI Key | ZBIKORITPGTTGI-UHFFFAOYSA-N |
N-Benzylbenzamide, 99%
CAS: 1485-70-7 Formula molecolare: C14H13NO Molecular Weight (g/mol): 211.26 Numero MDL: MFCD00003070 InChI Key: LKQUCICFTHBFAL-UHFFFAOYSA-N Sinonimo: benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa PubChem CID: 73878 IUPAC Name: N-benzylbenzamide SMILES: O=C(NCC1=CC=CC=C1)C1=CC=CC=C1
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| Sinonimo | benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa |
|---|---|
| Numero MDL | MFCD00003070 |
| PubChem CID | 73878 |
| Formula molecolare | C14H13NO |
| CAS | 1485-70-7 |
| Molecular Weight (g/mol) | 211.26 |
| SMILES | O=C(NCC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | N-benzylbenzamide |
| InChI Key | LKQUCICFTHBFAL-UHFFFAOYSA-N |