Benzenoids
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1,5-Dinitronaphthalene 98.0+%, TCI America™
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CAS: 605-71-0 Molecular Formula: C10H6N2O4 Molecular Weight (g/mol): 218.168 MDL Number: MFCD00003916 InChI Key: ZUTCJXFCHHDFJS-UHFFFAOYSA-N Synonym: naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene PubChem CID: 11803 ChEBI: CHEBI:50640 IUPAC Name: 1,5-dinitronaphthalene SMILES: C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-]
| PubChem CID | 11803 |
|---|---|
| CAS | 605-71-0 |
| Molecular Weight (g/mol) | 218.168 |
| ChEBI | CHEBI:50640 |
| MDL Number | MFCD00003916 |
| SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-] |
| Synonym | naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene |
| IUPAC Name | 1,5-dinitronaphthalene |
| InChI Key | ZUTCJXFCHHDFJS-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2O4 |
2-(Trifluoromethyl)phenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 3107-34-4 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00102619 InChI Key: ZUSWDTWYONAOPH-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride PubChem CID: 12891828 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN.Cl
| PubChem CID | 12891828 |
|---|---|
| CAS | 3107-34-4 |
| Molecular Weight (g/mol) | 212.6 |
| MDL Number | MFCD00102619 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NN.Cl |
| Synonym | 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride |
| IUPAC Name | [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride |
| InChI Key | ZUSWDTWYONAOPH-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClF3N2 |
3-Fluorobenzamide 97.0+%, TCI America™
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CAS: 455-37-8 Molecular Formula: C7H6FNO Molecular Weight (g/mol): 139.13 MDL Number: MFCD00007983 InChI Key: YPIGHNIIXYSPKF-UHFFFAOYSA-N Synonym: m-fluorobenzamide,benzamide, 3-fluoro,3-fluoro-benzamide,benzamide, m-fluoro,3-fluoranylbenzamide,3-fluorobenzamide,ksc492m7t,ypighniixyspkf-uhfffaoysa PubChem CID: 68000 IUPAC Name: 3-fluorobenzamide SMILES: NC(=O)C1=CC=CC(F)=C1
| PubChem CID | 68000 |
|---|---|
| CAS | 455-37-8 |
| Molecular Weight (g/mol) | 139.13 |
| MDL Number | MFCD00007983 |
| SMILES | NC(=O)C1=CC=CC(F)=C1 |
| Synonym | m-fluorobenzamide,benzamide, 3-fluoro,3-fluoro-benzamide,benzamide, m-fluoro,3-fluoranylbenzamide,3-fluorobenzamide,ksc492m7t,ypighniixyspkf-uhfffaoysa |
| IUPAC Name | 3-fluorobenzamide |
| InChI Key | YPIGHNIIXYSPKF-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO |
4,4'-Difluorobenzhydrol 98.0+%, TCI America™
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CAS: 365-24-2 Molecular Formula: C13H10F2O Molecular Weight (g/mol): 220.219 MDL Number: MFCD00000357 InChI Key: WCTZPQWLFWZYJE-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzhydrol,bis 4-fluorophenyl methanol,bis-4-fluorophenyl-methanol,4,4'-difluorobenzhydryl alcohol,bis 4-fluorophenyl methan-1-ol,4,4'-diflurobenzylmethanol,pubchem14058,4,4'-diflourobenzhydrol,4,4'-difluoro benzhydrol,4,4'-difluoro-benzhydrol PubChem CID: 123049 IUPAC Name: bis(4-fluorophenyl)methanol SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F
| PubChem CID | 123049 |
|---|---|
| CAS | 365-24-2 |
| Molecular Weight (g/mol) | 220.219 |
| MDL Number | MFCD00000357 |
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F |
| Synonym | 4,4'-difluorobenzhydrol,bis 4-fluorophenyl methanol,bis-4-fluorophenyl-methanol,4,4'-difluorobenzhydryl alcohol,bis 4-fluorophenyl methan-1-ol,4,4'-diflurobenzylmethanol,pubchem14058,4,4'-diflourobenzhydrol,4,4'-difluoro benzhydrol,4,4'-difluoro-benzhydrol |
| IUPAC Name | bis(4-fluorophenyl)methanol |
| InChI Key | WCTZPQWLFWZYJE-UHFFFAOYSA-N |
| Molecular Formula | C13H10F2O |
4-Acetylindan 98.0+%, TCI America™
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CAS: 38997-97-6 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.216 MDL Number: MFCD09033715 InChI Key: FPHUGFGBPNVMQR-UHFFFAOYSA-N PubChem CID: 13657961 IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yl)ethanone SMILES: CC(=O)C1=C2CCCC2=CC=C1
| PubChem CID | 13657961 |
|---|---|
| CAS | 38997-97-6 |
| Molecular Weight (g/mol) | 160.216 |
| MDL Number | MFCD09033715 |
| SMILES | CC(=O)C1=C2CCCC2=CC=C1 |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-4-yl)ethanone |
| InChI Key | FPHUGFGBPNVMQR-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
4-Nitropyrene 97.0+%, TCI America™
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CAS: 57835-92-4 Molecular Formula: C16H9NO2 Molecular Weight (g/mol): 247.25 MDL Number: MFCD00215955 InChI Key: UISKIUIWPSPSAV-UHFFFAOYSA-N PubChem CID: 62134 ChEBI: CHEBI:82355 IUPAC Name: 4-nitropyrene SMILES: [O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23
| PubChem CID | 62134 |
|---|---|
| CAS | 57835-92-4 |
| Molecular Weight (g/mol) | 247.25 |
| ChEBI | CHEBI:82355 |
| MDL Number | MFCD00215955 |
| SMILES | [O-][N+](=O)C1=CC2=CC=CC3=CC=C4C=CC=C1C4=C23 |
| IUPAC Name | 4-nitropyrene |
| InChI Key | UISKIUIWPSPSAV-UHFFFAOYSA-N |
| Molecular Formula | C16H9NO2 |
2,4-Dichlorobenzyl Cyanide 98.0+%, TCI America™
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CAS: 6306-60-1 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001899 InChI Key: VJARIBGMDPJLCL-UHFFFAOYSA-N Synonym: 2,4-dichlorophenylacetonitrile,2-2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzyl cyanide,benzeneacetonitrile, 2,4-dichloro,2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzeneacetonitrile,unii-d9j4c5m11e,acetonitrile, 2,4-dichlorophenyl,2,4-dichloro-phenyl-acetonitrile,2,4-dichlorphenyl acetonitrile PubChem CID: 80566 IUPAC Name: 2-(2,4-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1Cl)Cl)CC#N
| PubChem CID | 80566 |
|---|---|
| CAS | 6306-60-1 |
| Molecular Weight (g/mol) | 186.035 |
| MDL Number | MFCD00001899 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CC#N |
| Synonym | 2,4-dichlorophenylacetonitrile,2-2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzyl cyanide,benzeneacetonitrile, 2,4-dichloro,2,4-dichlorophenyl acetonitrile,2,4-dichlorobenzeneacetonitrile,unii-d9j4c5m11e,acetonitrile, 2,4-dichlorophenyl,2,4-dichloro-phenyl-acetonitrile,2,4-dichlorphenyl acetonitrile |
| IUPAC Name | 2-(2,4-dichlorophenyl)acetonitrile |
| InChI Key | VJARIBGMDPJLCL-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2N |
4-Methoxy-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O
| PubChem CID | 597216 |
|---|---|
| CAS | 6245-57-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00020291 |
| SMILES | COC1=CC(C)=C(C=C1)C(O)=O |
| Synonym | 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid |
| IUPAC Name | 4-methoxy-2-methylbenzoic acid |
| InChI Key | MSVRGYOYISBGTH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
[(4-Methoxyphenyl)ethynyl]trimethylsilane 97.0+%, TCI America™
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CAS: 3989-14-8 Molecular Formula: C12H16OSi Molecular Weight (g/mol): 204.34 MDL Number: MFCD04039887 InChI Key: GODVAYLZXZQBFP-UHFFFAOYSA-N PubChem CID: 3497861 IUPAC Name: [2-(4-methoxyphenyl)ethynyl]trimethylsilane SMILES: COC1=CC=C(C=C1)C#C[Si](C)(C)C
| PubChem CID | 3497861 |
|---|---|
| CAS | 3989-14-8 |
| Molecular Weight (g/mol) | 204.34 |
| MDL Number | MFCD04039887 |
| SMILES | COC1=CC=C(C=C1)C#C[Si](C)(C)C |
| IUPAC Name | [2-(4-methoxyphenyl)ethynyl]trimethylsilane |
| InChI Key | GODVAYLZXZQBFP-UHFFFAOYSA-N |
| Molecular Formula | C12H16OSi |
2-Chloro-5-fluoroanisole 97.0+%, TCI America™
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CAS: 450-89-5 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD00042573 InChI Key: ULVPJKKERHMKLS-UHFFFAOYSA-N Synonym: 2-chloro-5-fluoroanisole,benzene, 1-chloro-4-fluoro-2-methoxy,1-chloro-4-fluoro-2-methoxy-benzene,pubchem2659,acmc-1aezg,2-chloro-5-flouroanisole,1-chloro-2-methoxy-4-fluorobenzene;2-chloro-5-fluoroanisole1-chloro-4-fluoro-2-methoxybenzene PubChem CID: 2724520 IUPAC Name: 1-chloro-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Cl
| PubChem CID | 2724520 |
|---|---|
| CAS | 450-89-5 |
| Molecular Weight (g/mol) | 160.57 |
| MDL Number | MFCD00042573 |
| SMILES | COC1=CC(F)=CC=C1Cl |
| Synonym | 2-chloro-5-fluoroanisole,benzene, 1-chloro-4-fluoro-2-methoxy,1-chloro-4-fluoro-2-methoxy-benzene,pubchem2659,acmc-1aezg,2-chloro-5-flouroanisole,1-chloro-2-methoxy-4-fluorobenzene;2-chloro-5-fluoroanisole1-chloro-4-fluoro-2-methoxybenzene |
| IUPAC Name | 1-chloro-4-fluoro-2-methoxybenzene |
| InChI Key | ULVPJKKERHMKLS-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClFO |
3-Hydroxy-2'-methyl-2-naphthanilide 97.0+%, TCI America™
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CAS: 135-61-5 Molecular Formula: C18H15NO2 Molecular Weight (g/mol): 277.323 MDL Number: MFCD00021634 InChI Key: FBLAHUMENIHUGG-UHFFFAOYSA-N Synonym: 2-Hydroxy-3-naphthoic Acid o-Toluidide, Naphthol AS-D, Azoic Coupling Component 18, 3-Hydroxy-N-(o-tolyl)-2-naphthamide PubChem CID: 67273 IUPAC Name: 3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
| PubChem CID | 67273 |
|---|---|
| CAS | 135-61-5 |
| Molecular Weight (g/mol) | 277.323 |
| MDL Number | MFCD00021634 |
| SMILES | CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O |
| Synonym | 2-Hydroxy-3-naphthoic Acid o-Toluidide, Naphthol AS-D, Azoic Coupling Component 18, 3-Hydroxy-N-(o-tolyl)-2-naphthamide |
| IUPAC Name | 3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide |
| InChI Key | FBLAHUMENIHUGG-UHFFFAOYSA-N |
| Molecular Formula | C18H15NO2 |
3-Chloro-2-fluorobenzyl Bromide 96.0+%, TCI America™
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CAS: 85070-47-9 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD00042503 InChI Key: HYILLTADABKYHO-UHFFFAOYSA-N Synonym: 3-chloro-2-fluorobenzyl bromide,1-bromomethyl-3-chloro-2-fluorobenzene,2-fluoro-3-chlorobenzyl bromide,3-chloro-2-fluorobenzylbromide,3-chloro-2-fluoro benzyl bromide,alpha-bromo-3-chloro-2-fluorotoluene,alpha-bromo-2-fluoro-3-chlorotoluene,benzene, 1-bromomethyl-3-chloro-2-fluoro,1-bromomethyl-3-chloro-2-fluoro-benzene PubChem CID: 522827 IUPAC Name: 1-(bromomethyl)-3-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC=C1CBr
| PubChem CID | 522827 |
|---|---|
| CAS | 85070-47-9 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD00042503 |
| SMILES | FC1=C(Cl)C=CC=C1CBr |
| Synonym | 3-chloro-2-fluorobenzyl bromide,1-bromomethyl-3-chloro-2-fluorobenzene,2-fluoro-3-chlorobenzyl bromide,3-chloro-2-fluorobenzylbromide,3-chloro-2-fluoro benzyl bromide,alpha-bromo-3-chloro-2-fluorotoluene,alpha-bromo-2-fluoro-3-chlorotoluene,benzene, 1-bromomethyl-3-chloro-2-fluoro,1-bromomethyl-3-chloro-2-fluoro-benzene |
| IUPAC Name | 1-(bromomethyl)-3-chloro-2-fluorobenzene |
| InChI Key | HYILLTADABKYHO-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
3,5-Bis(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 12889 |
|---|---|
| CAS | 725-89-3 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00000388 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoic acid |
| InChI Key | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F6O2 |
Ethyl 4-Chlorobenzoate 96.0+%, TCI America™
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CAS: 7335-27-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013645 InChI Key: RWBYCMPOFNRISR-UHFFFAOYSA-N Synonym: ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 PubChem CID: 81785 IUPAC Name: ethyl 4-chlorobenzoate SMILES: CCOC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 81785 |
|---|---|
| CAS | 7335-27-5 |
| Molecular Weight (g/mol) | 184.62 |
| MDL Number | MFCD00013645 |
| SMILES | CCOC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 |
| IUPAC Name | ethyl 4-chlorobenzoate |
| InChI Key | RWBYCMPOFNRISR-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
Methyl 3-Methyl-4-nitrobenzoate 98.0+%, TCI America™
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CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 260927 |
|---|---|
| CAS | 24078-21-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00085640 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
| IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
| InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |