Benzene and substituted derivatives
Filtered Search Results
N-Benzyl-tert-butylamine, 96%
CAS: 3378-72-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00008798 InChI Key: DLSOILHAKCBARI-UHFFFAOYSA-N Synonym: n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine PubChem CID: 76908 IUPAC Name: N-benzyl-2-methylpropan-2-amine SMILES: CC(C)(C)NCC1=CC=CC=C1
| PubChem CID | 76908 |
|---|---|
| CAS | 3378-72-1 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00008798 |
| SMILES | CC(C)(C)NCC1=CC=CC=C1 |
| Synonym | n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine |
| IUPAC Name | N-benzyl-2-methylpropan-2-amine |
| InChI Key | DLSOILHAKCBARI-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |
2,4-Dichlorobenzylamine, 98%
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: (2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 1485 |
|---|---|
| CAS | 95-00-1 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008109 |
| SMILES | NCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
| IUPAC Name | (2,4-dichlorophenyl)methanamine |
| InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
N-Isopropylbenzylamine, 97%
CAS: 102-97-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008863 InChI Key: LYBKPDDZTNUNNM-UHFFFAOYSA-N Synonym: n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine PubChem CID: 66024 IUPAC Name: N-benzylpropan-2-amine SMILES: CC(C)NCC1=CC=CC=C1
| PubChem CID | 66024 |
|---|---|
| CAS | 102-97-6 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00008863 |
| SMILES | CC(C)NCC1=CC=CC=C1 |
| Synonym | n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine |
| IUPAC Name | N-benzylpropan-2-amine |
| InChI Key | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
2,5-Difluorobenzylamine, 97%, Thermo Scientific™
CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: (2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F
| PubChem CID | 123589 |
|---|---|
| CAS | 85118-06-5 |
| Molecular Weight (g/mol) | 143.14 |
| MDL Number | MFCD00010143 |
| SMILES | NCC1=CC(F)=CC=C1F |
| Synonym | 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p |
| IUPAC Name | (2,5-difluorophenyl)methanamine |
| InChI Key | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
(4-Thien-3-ylphenyl)methylamine, ≥97%, Thermo Scientific™
CAS: 876317-18-9 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08271959 InChI Key: QTXFTOUAVPVJMZ-UHFFFAOYSA-N Synonym: 4-thien-3-ylphenyl methylamine,4-thiophen-3-yl phenyl methanamine,benzenemethanamine,4-3-thienyl,1-4-thiophen-3-yl phenyl methanamine,4-thien-3-yl benzylamine,4-thiophen-3-yl benzylamine,4-3-thienyl phenyl methylamine,4-thiophen-3-ylphenyl methanamine,4-thien-3-yl phenyl methylamine PubChem CID: 18525830 IUPAC Name: (4-thiophen-3-ylphenyl)methanamine SMILES: C1=CC(=CC=C1CN)C2=CSC=C2
| PubChem CID | 18525830 |
|---|---|
| CAS | 876317-18-9 |
| Molecular Weight (g/mol) | 189.276 |
| MDL Number | MFCD08271959 |
| SMILES | C1=CC(=CC=C1CN)C2=CSC=C2 |
| Synonym | 4-thien-3-ylphenyl methylamine,4-thiophen-3-yl phenyl methanamine,benzenemethanamine,4-3-thienyl,1-4-thiophen-3-yl phenyl methanamine,4-thien-3-yl benzylamine,4-thiophen-3-yl benzylamine,4-3-thienyl phenyl methylamine,4-thiophen-3-ylphenyl methanamine,4-thien-3-yl phenyl methylamine |
| IUPAC Name | (4-thiophen-3-ylphenyl)methanamine |
| InChI Key | QTXFTOUAVPVJMZ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NS |
2,4-Dichlorobenzylamine, 98%
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: (2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 1485 |
|---|---|
| CAS | 95-00-1 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008109 |
| SMILES | NCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
| IUPAC Name | (2,4-dichlorophenyl)methanamine |
| InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
N-Methyl-3-pyrimidin-2-ylbenzylamine, 97%, Thermo Scientific™
CAS: 886851-49-6 Molecular Formula: C12H13N3 Molecular Weight (g/mol): 199.257 MDL Number: MFCD09702386 InChI Key: AHOVMAYXXRVWIS-UHFFFAOYSA-N Synonym: n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci PubChem CID: 24229568 IUPAC Name: N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC(=C1)C2=NC=CC=N2
| PubChem CID | 24229568 |
|---|---|
| CAS | 886851-49-6 |
| Molecular Weight (g/mol) | 199.257 |
| MDL Number | MFCD09702386 |
| SMILES | CNCC1=CC=CC(=C1)C2=NC=CC=N2 |
| Synonym | n-methyl-3-pyrimidin-2-ylbenzylamine,methyl 3-pyrimidin-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-pyrimidinyl,n-methyl-1-3-pyrimidin-2-yl phenyl methanamine,n-3-pyrimidin-2-yl benzyl methylamine,2-3-methylamino methyl phenyl pyrimidine,methyl 3-pyrimidin-2-ylphenyl methyl amine,benzenemethanamine, n-methyl-3-2-pyrimidinyl-9ci |
| IUPAC Name | N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine |
| InChI Key | AHOVMAYXXRVWIS-UHFFFAOYSA-N |
| Molecular Formula | C12H13N3 |
3-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™
CAS: 859850-90-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.30 MDL Number: MFCD07772861 InChI Key: NNYDAONDPGWBRI-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl PubChem CID: 7164647 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC2=CC=CC(=C2)C#N)CC1
| PubChem CID | 7164647 |
|---|---|
| CAS | 859850-90-1 |
| Molecular Weight (g/mol) | 215.30 |
| MDL Number | MFCD07772861 |
| SMILES | CN1CCN(CC2=CC=CC(=C2)C#N)CC1 |
| Synonym | 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl |
| IUPAC Name | 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile |
| InChI Key | NNYDAONDPGWBRI-UHFFFAOYSA-N |
| Molecular Formula | C13H17N3 |
4-(4-Iodobenzyl)morpholine, ≥97%, Thermo Scientific™
CAS: 299159-27-6 Molecular Formula: C11H14INO Molecular Weight (g/mol): 303.143 MDL Number: MFCD04974051 InChI Key: IYDFKIKPNVVXQU-UHFFFAOYSA-N Synonym: 4-4-iodobenzyl morpholine,4-4-iodophenyl methyl morpholine,4-4-iodo-benzyl-morpholine,4-iodobenzyl morpholine,4-morpholinomethyliodobenzene PubChem CID: 2795500 IUPAC Name: 4-[(4-iodophenyl)methyl]morpholine SMILES: C1COCCN1CC2=CC=C(C=C2)I
| PubChem CID | 2795500 |
|---|---|
| CAS | 299159-27-6 |
| Molecular Weight (g/mol) | 303.143 |
| MDL Number | MFCD04974051 |
| SMILES | C1COCCN1CC2=CC=C(C=C2)I |
| Synonym | 4-4-iodobenzyl morpholine,4-4-iodophenyl methyl morpholine,4-4-iodo-benzyl-morpholine,4-iodobenzyl morpholine,4-morpholinomethyliodobenzene |
| IUPAC Name | 4-[(4-iodophenyl)methyl]morpholine |
| InChI Key | IYDFKIKPNVVXQU-UHFFFAOYSA-N |
| Molecular Formula | C11H14INO |
trans,trans-1,4-Diphenyl-1,3-butadiene, 98+%
CAS: 538-81-8 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl PubChem CID: 641683 ChEBI: CHEBI:35100 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
| PubChem CID | 641683 |
|---|---|
| CAS | 538-81-8 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:35100 |
| MDL Number | MFCD00004791 |
| SMILES | C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1 |
| Synonym | bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl |
| IUPAC Name | [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene |
| InChI Key | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| Molecular Formula | C16H14 |
3,5-Dimethylbenzyl bromide, 98%
CAS: 27129-86-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00013539 InChI Key: QXDHXCVJGBTQMK-UHFFFAOYSA-N Synonym: 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide PubChem CID: 141334 IUPAC Name: 1-(bromomethyl)-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)CBr)C
| PubChem CID | 141334 |
|---|---|
| CAS | 27129-86-8 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00013539 |
| SMILES | CC1=CC(=CC(=C1)CBr)C |
| Synonym | 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3,5-dimethylbenzene |
| InChI Key | QXDHXCVJGBTQMK-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
4-Nitrophenylacetonitrile, 98%
CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]
| PubChem CID | 68386 |
|---|---|
| CAS | 555-21-5 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00007372 |
| SMILES | C1=CC(=CC=C1CC#N)[N+](=O)[O-] |
| Synonym | 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile |
| IUPAC Name | 2-(4-nitrophenyl)acetonitrile |
| InChI Key | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
3-(Trifluoromethyl)benzoyl chloride, 97%
CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
| PubChem CID | 75257 |
|---|---|
| CAS | 2251-65-2 |
| Molecular Weight (g/mol) | 208.564 |
| MDL Number | MFCD00000680 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
| Synonym | 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 |
| IUPAC Name | 3-(trifluoromethyl)benzoyl chloride |
| InChI Key | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
2,3-Dimethylphenylhydrazine hydrochloride, 97%
CAS: 56737-75-8 Molecular Formula: C8H13ClN2 Molecular Weight (g/mol): 172.656 MDL Number: MFCD00013380 InChI Key: UKAYNIJBIXNDDJ-UHFFFAOYSA-N Synonym: 2,3-dimethylphenylhydrazine hydrochloride,2,3-dimethylphenyl hydrazine hydrochloride,1-2,3-dimethylphenyl hydrazine hydrochloride,acmc-1atp8,3-hydrazino-o-xylene hydrochloride,2,3-dimethylphenylhydrazine, chloride,hydrazine, 2,3-dimethylphenyl-, hydrochloride 1:1 PubChem CID: 2774885 IUPAC Name: (2,3-dimethylphenyl)hydrazine;hydrochloride SMILES: CC1=C(C(=CC=C1)NN)C.Cl
| PubChem CID | 2774885 |
|---|---|
| CAS | 56737-75-8 |
| Molecular Weight (g/mol) | 172.656 |
| MDL Number | MFCD00013380 |
| SMILES | CC1=C(C(=CC=C1)NN)C.Cl |
| Synonym | 2,3-dimethylphenylhydrazine hydrochloride,2,3-dimethylphenyl hydrazine hydrochloride,1-2,3-dimethylphenyl hydrazine hydrochloride,acmc-1atp8,3-hydrazino-o-xylene hydrochloride,2,3-dimethylphenylhydrazine, chloride,hydrazine, 2,3-dimethylphenyl-, hydrochloride 1:1 |
| IUPAC Name | (2,3-dimethylphenyl)hydrazine;hydrochloride |
| InChI Key | UKAYNIJBIXNDDJ-UHFFFAOYSA-N |
| Molecular Formula | C8H13ClN2 |
3-Acetamidobenzoic acid, 98%
CAS: 587-48-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00013983 InChI Key: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC Name: 3-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O
| PubChem CID | 48847 |
|---|---|
| CAS | 587-48-4 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00013983 |
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide |
| IUPAC Name | 3-acetamidobenzoic acid |
| InChI Key | RGDPZMQZWZMONQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |