Benzenoids
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2-(Trifluoromethyl)phenylacetic Acid 98.0+%, TCI America™
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CAS: 3038-48-0 Molecular Formula: C9H6F3O2 Molecular Weight (g/mol): 203.14 MDL Number: MFCD00004327 InChI Key: TYOCDHCKTWANIR-UHFFFAOYSA-M Synonym: 2-trifluoromethyl phenylacetic acid,2-2-trifluoromethyl phenyl acetic acid,2-trifluoromethylphenylacetic acid,a,a,a-trifluoro-o-tolyl acetic acid,2-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-o-tolyl acetic acid,benzeneacetic acid, 2-trifluoromethyl,acmc-209hfg,ksc494k8b PubChem CID: 594597 IUPAC Name: 2-[2-(trifluoromethyl)phenyl]acetate SMILES: [O-]C(=O)CC1=CC=CC=C1C(F)(F)F
| PubChem CID | 594597 |
|---|---|
| CAS | 3038-48-0 |
| Molecular Weight (g/mol) | 203.14 |
| MDL Number | MFCD00004327 |
| SMILES | [O-]C(=O)CC1=CC=CC=C1C(F)(F)F |
| Synonym | 2-trifluoromethyl phenylacetic acid,2-2-trifluoromethyl phenyl acetic acid,2-trifluoromethylphenylacetic acid,a,a,a-trifluoro-o-tolyl acetic acid,2-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-o-tolyl acetic acid,benzeneacetic acid, 2-trifluoromethyl,acmc-209hfg,ksc494k8b |
| IUPAC Name | 2-[2-(trifluoromethyl)phenyl]acetate |
| InChI Key | TYOCDHCKTWANIR-UHFFFAOYSA-M |
| Molecular Formula | C9H6F3O2 |
4-Chloro-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O
| PubChem CID | 348269 |
|---|---|
| CAS | 7499-07-2 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00045852 |
| SMILES | CC1=C(C=CC(=C1)Cl)C(=O)O |
| Synonym | 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid |
| IUPAC Name | 4-chloro-2-methylbenzoic acid |
| InChI Key | XXFKOBGFMUIWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
1-Benzyloxy-4-bromobenzene 98.0+%, TCI America™
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CAS: 6793-92-6 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD00028016 InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N Synonym: 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene PubChem CID: 138835 IUPAC Name: 1-bromo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
| PubChem CID | 138835 |
|---|---|
| CAS | 6793-92-6 |
| Molecular Weight (g/mol) | 263.134 |
| MDL Number | MFCD00028016 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)Br |
| Synonym | 4-benzyloxybromobenzene,1-benzyloxy-4-bromobenzene,1-bromo-4-phenylmethoxy benzene,1-bromo-4-benzyloxybenzene,4-benzyloxy bromobenzene,1-benzyloxy-4-bromo-benzene,1-bromo-4-phenylmethyl oxy benzene,4-benzyloxy-bromobenzene,p-benzyloxy bromobenzene |
| IUPAC Name | 1-bromo-4-phenylmethoxybenzene |
| InChI Key | OUQSGILAXUXMGI-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO |
2-Fluoro-4-methoxyphenol 95.0+%, TCI America™
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CAS: 167683-93-4 Molecular Formula: C7H7FO2 Molecular Weight (g/mol): 142.129 MDL Number: MFCD00070796 InChI Key: FCJHBXCQIOVMEM-UHFFFAOYSA-N Synonym: 3-Fluoro-4-hydroxyanisole PubChem CID: 2774557 IUPAC Name: 2-fluoro-4-methoxyphenol SMILES: COC1=CC(=C(C=C1)O)F
| PubChem CID | 2774557 |
|---|---|
| CAS | 167683-93-4 |
| Molecular Weight (g/mol) | 142.129 |
| MDL Number | MFCD00070796 |
| SMILES | COC1=CC(=C(C=C1)O)F |
| Synonym | 3-Fluoro-4-hydroxyanisole |
| IUPAC Name | 2-fluoro-4-methoxyphenol |
| InChI Key | FCJHBXCQIOVMEM-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO2 |
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4'-propylbiphenyl 98.0+%, TCI America™
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CAS: 303186-20-1 Molecular Formula: C22H15F7O Molecular Weight (g/mol): 428.35 MDL Number: MFCD18451990 InChI Key: YJUHXJQZJUQYJJ-UHFFFAOYSA-N Synonym: 4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-propyl-1,1'-biphenyl,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-propylbiphenyl,4-3,4,5-trifluorophenoxydifluoromethyl-3,5-difluoro-4'-propylbiphenyl,2-difluoro-3,4,5-trifluorophenoxy methyl-1,3-difluoro-5-4-pro pylphenyl benzene,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4-propyl-1,1-biphenyl,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-n-propylbiphenyl PubChem CID: 20654145 IUPAC Name: 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene SMILES: CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F
| PubChem CID | 20654145 |
|---|---|
| CAS | 303186-20-1 |
| Molecular Weight (g/mol) | 428.35 |
| MDL Number | MFCD18451990 |
| SMILES | CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F |
| Synonym | 4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-propyl-1,1'-biphenyl,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-propylbiphenyl,4-3,4,5-trifluorophenoxydifluoromethyl-3,5-difluoro-4'-propylbiphenyl,2-difluoro-3,4,5-trifluorophenoxy methyl-1,3-difluoro-5-4-pro pylphenyl benzene,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4-propyl-1,1-biphenyl,4-difluoro 3,4,5-trifluorophenoxy methyl-3,5-difluoro-4'-n-propylbiphenyl |
| IUPAC Name | 2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene |
| InChI Key | YJUHXJQZJUQYJJ-UHFFFAOYSA-N |
| Molecular Formula | C22H15F7O |
1-tert-Butyl-3-ethylbenzene 98.0+%, TCI America™
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CAS: 14411-56-4 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00060845 InChI Key: MUJPTTGNHRHIPH-UHFFFAOYSA-N Synonym: 1-t-butyl-3-ethylbenzene,1-tert-butyl-3-ethylbenzene,benzene, 1-1,1-dimethylethyl-3-ethyl,benzene,1-1,1-dimethylethyl-3-ethyl,butylethylbenzene,m-tert-butyl-ethylbenzene,acmc-1cb13,1-tert-butyl-3-ethyl-benzene,1-1,1-dimethylethyl-3-ethylbenzene,1-tert-butyl-3-ethylbenzene 5g PubChem CID: 139753 IUPAC Name: 1-tert-butyl-3-ethylbenzene SMILES: CCC1=CC(=CC=C1)C(C)(C)C
| PubChem CID | 139753 |
|---|---|
| CAS | 14411-56-4 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD00060845 |
| SMILES | CCC1=CC(=CC=C1)C(C)(C)C |
| Synonym | 1-t-butyl-3-ethylbenzene,1-tert-butyl-3-ethylbenzene,benzene, 1-1,1-dimethylethyl-3-ethyl,benzene,1-1,1-dimethylethyl-3-ethyl,butylethylbenzene,m-tert-butyl-ethylbenzene,acmc-1cb13,1-tert-butyl-3-ethyl-benzene,1-1,1-dimethylethyl-3-ethylbenzene,1-tert-butyl-3-ethylbenzene 5g |
| IUPAC Name | 1-tert-butyl-3-ethylbenzene |
| InChI Key | MUJPTTGNHRHIPH-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
2-Naphthyloxyacetic Acid 98.0+%, TCI America™
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CAS: 120-23-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00004066 InChI Key: RZCJYMOBWVJQGV-UHFFFAOYSA-N Synonym: 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal PubChem CID: 8422 ChEBI: CHEBI:50397 IUPAC Name: 2-naphthalen-2-yloxyacetic acid SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
| PubChem CID | 8422 |
|---|---|
| CAS | 120-23-0 |
| Molecular Weight (g/mol) | 202.209 |
| ChEBI | CHEBI:50397 |
| MDL Number | MFCD00004066 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)OCC(=O)O |
| Synonym | 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal |
| IUPAC Name | 2-naphthalen-2-yloxyacetic acid |
| InChI Key | RZCJYMOBWVJQGV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
4-Butoxybenzoic Acid 98.0+%, TCI America™
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CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72971 |
|---|---|
| CAS | 1498-96-0 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00002546 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid |
| IUPAC Name | 4-butoxybenzoic acid |
| InChI Key | LAUFPZPAKULAGB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
4'-Cyano-4-nonyloxybiphenyl 98.0+%, TCI America™
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CAS: 58932-13-1 Molecular Formula: C22H27NO Molecular Weight (g/mol): 321.464 MDL Number: MFCD00388658 InChI Key: NJQLLUIPSJLJHY-UHFFFAOYSA-N Synonym: 4′C-Nonyloxy-4-biphenylcarbonitrile, 4′C-(Nonyloxy)-[1,1′C-biphenyl]-4-carbonitrile, 9OCB PubChem CID: 100887 IUPAC Name: 4-(4-nonoxyphenyl)benzonitrile SMILES: CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 100887 |
|---|---|
| CAS | 58932-13-1 |
| Molecular Weight (g/mol) | 321.464 |
| MDL Number | MFCD00388658 |
| SMILES | CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4′C-Nonyloxy-4-biphenylcarbonitrile, 4′C-(Nonyloxy)-[1,1′C-biphenyl]-4-carbonitrile, 9OCB |
| IUPAC Name | 4-(4-nonoxyphenyl)benzonitrile |
| InChI Key | NJQLLUIPSJLJHY-UHFFFAOYSA-N |
| Molecular Formula | C22H27NO |
3-Phenyl-2,4-pentanedione 98.0+%, TCI America™
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CAS: 5910-25-8 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00048223 InChI Key: YIWTXSVNRCWBAC-UHFFFAOYSA-N Synonym: 3-Phenylacetylacetone PubChem CID: 233402 IUPAC Name: 3-phenylpentane-2,4-dione SMILES: CC(=O)C(C1=CC=CC=C1)C(=O)C
| PubChem CID | 233402 |
|---|---|
| CAS | 5910-25-8 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00048223 |
| SMILES | CC(=O)C(C1=CC=CC=C1)C(=O)C |
| Synonym | 3-Phenylacetylacetone |
| IUPAC Name | 3-phenylpentane-2,4-dione |
| InChI Key | YIWTXSVNRCWBAC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
4-(Hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 59016-93-2 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.956 MDL Number: MFCD00792672 InChI Key: PZRPBPMLSSNFOM-UHFFFAOYSA-N Synonym: 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol PubChem CID: 2734706 IUPAC Name: [4-(hydroxymethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CO)(O)O
| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| SMILES | B(C1=CC=C(C=C1)CO)(O)O |
| Synonym | 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid,4-boronobenzyl alcohol,p-hydroxymethyl phenylboronic acid,4-hydroxymethyl phenyl boranediol |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
2-Hydroxyterephthalic Acid 98.0+%, TCI America™
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CAS: 636-94-2 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD09835368 InChI Key: CDOWNLMZVKJRSC-UHFFFAOYSA-N PubChem CID: 97257 IUPAC Name: 2-hydroxyterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)C(=O)O
| PubChem CID | 97257 |
|---|---|
| CAS | 636-94-2 |
| Molecular Weight (g/mol) | 182.131 |
| MDL Number | MFCD09835368 |
| SMILES | C1=CC(=C(C=C1C(=O)O)O)C(=O)O |
| IUPAC Name | 2-hydroxyterephthalic acid |
| InChI Key | CDOWNLMZVKJRSC-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
3-Hydroxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 621-37-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004337 InChI Key: FVMDYYGIDFPZAX-UHFFFAOYSA-N Synonym: 3-hydroxyphenylacetic acid,2-3-hydroxyphenyl acetic acid,3-hydroxyphenyl acetic acid,3-hydroxybenzeneacetic acid,3-hydroxyphenylacetate,m-hydroxyphenylacetic acid,m-hydroxyphenyl acetic acid,benzeneacetic acid, 3-hydroxy,metahydroxy phenylacetic acid,acetic acid, m-hydroxyphenyl PubChem CID: 12122 ChEBI: CHEBI:17445 IUPAC Name: 2-(3-hydroxyphenyl)acetic acid SMILES: OC(=O)CC1=CC=CC(O)=C1
| PubChem CID | 12122 |
|---|---|
| CAS | 621-37-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:17445 |
| MDL Number | MFCD00004337 |
| SMILES | OC(=O)CC1=CC=CC(O)=C1 |
| Synonym | 3-hydroxyphenylacetic acid,2-3-hydroxyphenyl acetic acid,3-hydroxyphenyl acetic acid,3-hydroxybenzeneacetic acid,3-hydroxyphenylacetate,m-hydroxyphenylacetic acid,m-hydroxyphenyl acetic acid,benzeneacetic acid, 3-hydroxy,metahydroxy phenylacetic acid,acetic acid, m-hydroxyphenyl |
| IUPAC Name | 2-(3-hydroxyphenyl)acetic acid |
| InChI Key | FVMDYYGIDFPZAX-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Bromobenzamide 98.0+%, TCI America™
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CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
Methyl 2-Hydroxy-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
| PubChem CID | 596904 |
|---|---|
| CAS | 22621-41-6 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00272263 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O |
| Synonym | methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l |
| InChI Key | NIBVYEHAFBEVFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |