Benzene and substituted derivatives
Filtered Search Results
(S)-(-)-1-(4-Methoxyphenyl)ethylamine 98.0+%, TCI America™
CAS: 41851-59-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671660 InChI Key: JTDGKQNNPKXKII-ZETCQYMHSA-N Synonym: s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine PubChem CID: 793467 IUPAC Name: (1S)-1-(4-methoxyphenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)OC)N
| PubChem CID | 793467 |
|---|---|
| CAS | 41851-59-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00671660 |
| SMILES | CC(C1=CC=C(C=C1)OC)N |
| Synonym | s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine |
| IUPAC Name | (1S)-1-(4-methoxyphenyl)ethanamine |
| InChI Key | JTDGKQNNPKXKII-ZETCQYMHSA-N |
| Molecular Formula | C9H13NO |
Methyl(diphenyl)phosphine Oxide 98.0+%, TCI America™
CAS: 2129-89-7 Molecular Formula: C13H13OP Molecular Weight (g/mol): 216.22 MDL Number: MFCD00002081 InChI Key: PEGCITODQASXKH-UHFFFAOYSA-N Synonym: methyldiphenylphosphine oxide,methyl diphenyl phosphine oxide,diphenylmethylphosphine oxide,phosphine oxide, methyldiphenyl,phosphine oxide, diphenylmethyl,methyl-phenylphosphoryl benzene,methyl phenyl phosphoryl benzene,methyl phenyl phosphoroso benzene,methyldiphenylphosphineoxide PubChem CID: 75041 IUPAC Name: [methyl(phenyl)phosphoroso]benzene SMILES: CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 75041 |
|---|---|
| CAS | 2129-89-7 |
| Molecular Weight (g/mol) | 216.22 |
| MDL Number | MFCD00002081 |
| SMILES | CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyldiphenylphosphine oxide,methyl diphenyl phosphine oxide,diphenylmethylphosphine oxide,phosphine oxide, methyldiphenyl,phosphine oxide, diphenylmethyl,methyl-phenylphosphoryl benzene,methyl phenyl phosphoryl benzene,methyl phenyl phosphoroso benzene,methyldiphenylphosphineoxide |
| IUPAC Name | [methyl(phenyl)phosphoroso]benzene |
| InChI Key | PEGCITODQASXKH-UHFFFAOYSA-N |
| Molecular Formula | C13H13OP |
3,5-Difluorobenzoyl Chloride 98.0+%, TCI America™
CAS: 129714-97-2 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00010309 InChI Key: OYZWEOORLJBPMA-UHFFFAOYSA-N Synonym: 3,5-difluorobenzoylchloride,benzoyl chloride, 3,5-difluoro,3,5-difluorobenzoic acid chloride,pubchem20777,acmc-1chrc,intermediates-zcf02002,3,5difluorobenzoyl chloride,3,5-di-fluorobenzoyl chloride,3,5-difluoro-benzoyl chloride,3,5-difluoro-benzoyl-chloride PubChem CID: 145600 IUPAC Name: 3,5-difluorobenzoyl chloride SMILES: C1=C(C=C(C=C1F)F)C(=O)Cl
| PubChem CID | 145600 |
|---|---|
| CAS | 129714-97-2 |
| Molecular Weight (g/mol) | 176.547 |
| MDL Number | MFCD00010309 |
| SMILES | C1=C(C=C(C=C1F)F)C(=O)Cl |
| Synonym | 3,5-difluorobenzoylchloride,benzoyl chloride, 3,5-difluoro,3,5-difluorobenzoic acid chloride,pubchem20777,acmc-1chrc,intermediates-zcf02002,3,5difluorobenzoyl chloride,3,5-di-fluorobenzoyl chloride,3,5-difluoro-benzoyl chloride,3,5-difluoro-benzoyl-chloride |
| IUPAC Name | 3,5-difluorobenzoyl chloride |
| InChI Key | OYZWEOORLJBPMA-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
4,5-Difluoro-1,2-phenylenediamine 97.0+%, TCI America™
CAS: 76179-40-3 Molecular Formula: C6H6F2N2 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00061131 InChI Key: PPWRHKISAQTCCG-UHFFFAOYSA-N Synonym: 1,2-diamino-4,5-difluorobenzene,4,5-difluoro-1,2-phenylenediamine,4,5-difluoro-o-phenylenediamine,2-amino-4,5-difluorophenylamine,4,5-difluoro-benzene-1,2-diamine,4,5-difluoro-1,2-benzenediamine,1,2-benzenediamine,4,5-difluoro,1,2-benzenediamine, 4,5-difluoro,pubchem4354,2-amino-4,5-difluoroaniline PubChem CID: 2736755 IUPAC Name: 4,5-difluorobenzene-1,2-diamine SMILES: NC1=CC(F)=C(F)C=C1N
| PubChem CID | 2736755 |
|---|---|
| CAS | 76179-40-3 |
| Molecular Weight (g/mol) | 144.13 |
| MDL Number | MFCD00061131 |
| SMILES | NC1=CC(F)=C(F)C=C1N |
| Synonym | 1,2-diamino-4,5-difluorobenzene,4,5-difluoro-1,2-phenylenediamine,4,5-difluoro-o-phenylenediamine,2-amino-4,5-difluorophenylamine,4,5-difluoro-benzene-1,2-diamine,4,5-difluoro-1,2-benzenediamine,1,2-benzenediamine,4,5-difluoro,1,2-benzenediamine, 4,5-difluoro,pubchem4354,2-amino-4,5-difluoroaniline |
| IUPAC Name | 4,5-difluorobenzene-1,2-diamine |
| InChI Key | PPWRHKISAQTCCG-UHFFFAOYSA-N |
| Molecular Formula | C6H6F2N2 |
Dicamba 98.0+%, TCI America™
CAS: 1918-00-9 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00055283 InChI Key: IWEDIXLBFLAXBO-UHFFFAOYSA-N Synonym: dicamba,mdba,mediben,banvel,dianat,3,6-dichloro-o-anisic acid,banlen,brush buster,banvel herbicide,banvel cst PubChem CID: 3030 ChEBI: CHEBI:81856 IUPAC Name: 3,6-dichloro-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1C(=O)O)Cl)Cl
| PubChem CID | 3030 |
|---|---|
| CAS | 1918-00-9 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:81856 |
| MDL Number | MFCD00055283 |
| SMILES | COC1=C(C=CC(=C1C(=O)O)Cl)Cl |
| Synonym | dicamba,mdba,mediben,banvel,dianat,3,6-dichloro-o-anisic acid,banlen,brush buster,banvel herbicide,banvel cst |
| IUPAC Name | 3,6-dichloro-2-methoxybenzoic acid |
| InChI Key | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
Quinoxyfen 98.0+%, TCI America™
CAS: 124495-18-7 Molecular Formula: C15H8Cl2FNO Molecular Weight (g/mol): 308.13 MDL Number: MFCD03265638 InChI Key: WRPIRSINYZBGPK-UHFFFAOYSA-N Synonym: quinoxyfen,5,7-dichloro-4-4-fluorophenoxy quinoline,legend,quinoline, 5,7-dichloro-4-4-fluorophenoxy,unii-ppc78j1vcw,quinoxyfen iso:bsi:ansi,ppc78j1vcw,5,7-dichloro-4-quinolyl 4-fluorophenyl ether,acmc-20mr2i,dsstox_cid_14881 PubChem CID: 3391107 ChEBI: CHEBI:82040 IUPAC Name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline SMILES: FC1=CC=C(OC2=C3C(Cl)=CC(Cl)=CC3=NC=C2)C=C1
| PubChem CID | 3391107 |
|---|---|
| CAS | 124495-18-7 |
| Molecular Weight (g/mol) | 308.13 |
| ChEBI | CHEBI:82040 |
| MDL Number | MFCD03265638 |
| SMILES | FC1=CC=C(OC2=C3C(Cl)=CC(Cl)=CC3=NC=C2)C=C1 |
| Synonym | quinoxyfen,5,7-dichloro-4-4-fluorophenoxy quinoline,legend,quinoline, 5,7-dichloro-4-4-fluorophenoxy,unii-ppc78j1vcw,quinoxyfen iso:bsi:ansi,ppc78j1vcw,5,7-dichloro-4-quinolyl 4-fluorophenyl ether,acmc-20mr2i,dsstox_cid_14881 |
| IUPAC Name | 5,7-dichloro-4-(4-fluorophenoxy)quinoline |
| InChI Key | WRPIRSINYZBGPK-UHFFFAOYSA-N |
| Molecular Formula | C15H8Cl2FNO |
4,4'-Diiodobiphenyl 98.0+%, TCI America™
CAS: 3001-15-8 Molecular Formula: C12H8I2 Molecular Weight (g/mol): 406.005 MDL Number: MFCD00001057 InChI Key: GPYDMVZCPRONLW-UHFFFAOYSA-N Synonym: 4,4'-diiodobiphenyl,4,4'-diiodo-1,1'-biphenyl,4,4'-diiododiphenyl,1,1'-biphenyl, 4,4'-diiodo,1-iodo-4-4-iodophenyl benzene,4,4-diiodobiphenyl,4-4'-iodophenyl iodobenzene,4,4;-diiodobiphenyl,4,4'-diiododophenyl, pract,4-iodo-1-4-iodophenyl benzene PubChem CID: 76348 IUPAC Name: 1-iodo-4-(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)I
| PubChem CID | 76348 |
|---|---|
| CAS | 3001-15-8 |
| Molecular Weight (g/mol) | 406.005 |
| MDL Number | MFCD00001057 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)I)I |
| Synonym | 4,4'-diiodobiphenyl,4,4'-diiodo-1,1'-biphenyl,4,4'-diiododiphenyl,1,1'-biphenyl, 4,4'-diiodo,1-iodo-4-4-iodophenyl benzene,4,4-diiodobiphenyl,4-4'-iodophenyl iodobenzene,4,4;-diiodobiphenyl,4,4'-diiododophenyl, pract,4-iodo-1-4-iodophenyl benzene |
| IUPAC Name | 1-iodo-4-(4-iodophenyl)benzene |
| InChI Key | GPYDMVZCPRONLW-UHFFFAOYSA-N |
| Molecular Formula | C12H8I2 |
3-Iodobenzotrifluoride (stabilized with Copper chip) 98.0+%, TCI America™
CAS: 401-81-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001049 InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene PubChem CID: 67868 IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)I)C(F)(F)F
| PubChem CID | 67868 |
|---|---|
| CAS | 401-81-0 |
| Molecular Weight (g/mol) | 272.009 |
| MDL Number | MFCD00001049 |
| SMILES | C1=CC(=CC(=C1)I)C(F)(F)F |
| Synonym | 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene |
| IUPAC Name | 1-iodo-3-(trifluoromethyl)benzene |
| InChI Key | IGISPMBUGPHLBY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™
CAS: 1073062-59-5 Molecular Formula: C21H13Br2N3 Molecular Weight (g/mol): 467.164 MDL Number: MFCD25562933 InChI Key: DRQMSTXYCLCAHO-UHFFFAOYSA-N PubChem CID: 58382615 IUPAC Name: 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4
| PubChem CID | 58382615 |
|---|---|
| CAS | 1073062-59-5 |
| Molecular Weight (g/mol) | 467.164 |
| MDL Number | MFCD25562933 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4 |
| IUPAC Name | 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine |
| InChI Key | DRQMSTXYCLCAHO-UHFFFAOYSA-N |
| Molecular Formula | C21H13Br2N3 |
Diphenylacetaldehyde 95.0+%, TCI America™
CAS: 947-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00006972 InChI Key: HLLGFGBLKOIZOM-UHFFFAOYSA-N Synonym: diphenylacetaldehyde,diphenylketen,acetaldehyde, diphenyl,alpha-phenylbenzeneacetaldehyde,diphenylethanal,diphenyl-acetaldehyde,benzeneacetaldehyde, .alpha.-phenyl,diphenyl-acetaldehyd,benzeneacetaldehyde, ?-phenyl,diphenylacetoaldehyde PubChem CID: 13696 IUPAC Name: 2,2-diphenylacetaldehyde SMILES: O=CC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 13696 |
|---|---|
| CAS | 947-91-1 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00006972 |
| SMILES | O=CC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylacetaldehyde,diphenylketen,acetaldehyde, diphenyl,alpha-phenylbenzeneacetaldehyde,diphenylethanal,diphenyl-acetaldehyde,benzeneacetaldehyde, .alpha.-phenyl,diphenyl-acetaldehyd,benzeneacetaldehyde, ?-phenyl,diphenylacetoaldehyde |
| IUPAC Name | 2,2-diphenylacetaldehyde |
| InChI Key | HLLGFGBLKOIZOM-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Nalpha-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide 95.0+%, TCI America™
CAS: 95713-52-3 Molecular Formula: C9H9FN4O5 Molecular Weight (g/mol): 272.19 MDL Number: MFCD00042049 InChI Key: NEPLBHLFDJOJGP-BYPYZUCNSA-N Synonym: marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa PubChem CID: 5486955 IUPAC Name: (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]propanamide SMILES: C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O
| PubChem CID | 5486955 |
|---|---|
| CAS | 95713-52-3 |
| Molecular Weight (g/mol) | 272.19 |
| MDL Number | MFCD00042049 |
| SMILES | C[C@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O |
| Synonym | marfey's reagent,s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,2s-2-5-fluoro-2,4-dinitrophenyl amino propanamide,n-2,4-dinitro-5-fluorophenyl-l-alaninamide,2s-2-5-fluoro-2,4-dinitroanilino propanamide,propanamide, 2-5-fluoro-2,4-dinitrophenyl amino-, 2s,nalpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,n-alpha-2,4-dinitro-5-fluorophenyl-l-alaninamide,fdaa,1-fd-aa |
| IUPAC Name | (2S)-2-[(5-fluoro-2,4-dinitrophenyl)amino]propanamide |
| InChI Key | NEPLBHLFDJOJGP-BYPYZUCNSA-N |
| Molecular Formula | C9H9FN4O5 |
3,5-Difluoroaniline 98.0+%, TCI America™
CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N
| PubChem CID | 96595 |
|---|---|
| CAS | 372-39-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007763 |
| SMILES | C1=C(C=C(C=C1F)F)N |
| Synonym | benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline |
| IUPAC Name | 3,5-difluoroaniline |
| InChI Key | KQOIBXZRCYFZSO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
4-Iodobenzyl Bromide 97.0+%, TCI America™
CAS: 16004-15-2 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00209656 InChI Key: BQTRMYJYYNQQGK-UHFFFAOYSA-N Synonym: 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide PubChem CID: 954258 IUPAC Name: 1-(bromomethyl)-4-iodobenzene SMILES: C1=CC(=CC=C1CBr)I
| PubChem CID | 954258 |
|---|---|
| CAS | 16004-15-2 |
| Molecular Weight (g/mol) | 296.933 |
| MDL Number | MFCD00209656 |
| SMILES | C1=CC(=CC=C1CBr)I |
| Synonym | 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-iodobenzene |
| InChI Key | BQTRMYJYYNQQGK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
4,4'-(4,4'-Isopropylidenediphenoxy)diphthalic Anhydride 98.0+%, TCI America™
CAS: 38103-06-9 Molecular Formula: C31H20O8 Molecular Weight (g/mol): 520.49 MDL Number: MFCD00319167 InChI Key: MQAHXEQUBNDFGI-UHFFFAOYSA-N PubChem CID: 94483 IUPAC Name: 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione SMILES: CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1
| PubChem CID | 94483 |
|---|---|
| CAS | 38103-06-9 |
| Molecular Weight (g/mol) | 520.49 |
| MDL Number | MFCD00319167 |
| SMILES | CC(C)(C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1)C1=CC=C(OC2=CC=C3C(=O)OC(=O)C3=C2)C=C1 |
| IUPAC Name | 5-[4-(2-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | MQAHXEQUBNDFGI-UHFFFAOYSA-N |
| Molecular Formula | C31H20O8 |
4-Methyl-3-nitrobenzoic Acid 99.0+%, TCI America™
CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzoic acid,3-nitro-4-methylbenzoic acid,3-nitro-p-toluic acid,benzoic acid, 4-methyl-3-nitro,3-nitro-para-toluic acid,m-nitro-p-toluic acid,4-methyl-3-nitro-benzoic acid,p-toluic acid, 3-nitro,3-nitro-4-methyl benzoic acid,benzoic acid,4-methyl-3-nitro PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 7319 |
|---|---|
| CAS | 96-98-0 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007174 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 4-methyl-3-nitrobenzoic acid,3-nitro-4-methylbenzoic acid,3-nitro-p-toluic acid,benzoic acid, 4-methyl-3-nitro,3-nitro-para-toluic acid,m-nitro-p-toluic acid,4-methyl-3-nitro-benzoic acid,p-toluic acid, 3-nitro,3-nitro-4-methyl benzoic acid,benzoic acid,4-methyl-3-nitro |
| InChI Key | BBEWSMNRCUXQRF-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |