Benzenoids
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4-Bromo-3-chloroaniline 98.0+%, TCI America™
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CAS: 21402-26-6 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00041311 InChI Key: QLYHPNUFNZJXOQ-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-3-chloro,3-chloro-4-bromoaniline,unii-2gtm4sw4oh,2gtm4sw4oh,4-bromo-3-chloro-aniline,4-bromo-3-chlorophenyl amine,pubchem3579,zlchem 1051,4-bromo-3-chloro aniline,4-bromo-3-chlorophenylamine PubChem CID: 88888 IUPAC Name: 4-bromo-3-chloroaniline SMILES: C1=CC(=C(C=C1N)Cl)Br
| PubChem CID | 88888 |
|---|---|
| CAS | 21402-26-6 |
| Molecular Weight (g/mol) | 206.467 |
| MDL Number | MFCD00041311 |
| SMILES | C1=CC(=C(C=C1N)Cl)Br |
| Synonym | benzenamine, 4-bromo-3-chloro,3-chloro-4-bromoaniline,unii-2gtm4sw4oh,2gtm4sw4oh,4-bromo-3-chloro-aniline,4-bromo-3-chlorophenyl amine,pubchem3579,zlchem 1051,4-bromo-3-chloro aniline,4-bromo-3-chlorophenylamine |
| IUPAC Name | 4-bromo-3-chloroaniline |
| InChI Key | QLYHPNUFNZJXOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
1,2-Difluoro-4-iodobenzene (stabilized with Copper chip) 98.0+%, TCI America™
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CAS: 64248-58-4 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00044630 InChI Key: KSASJELKLBIMSG-UHFFFAOYSA-N Synonym: 3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene PubChem CID: 2724444 IUPAC Name: 1,2-difluoro-4-iodobenzene SMILES: FC1=C(F)C=C(I)C=C1
| PubChem CID | 2724444 |
|---|---|
| CAS | 64248-58-4 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD00044630 |
| SMILES | FC1=C(F)C=C(I)C=C1 |
| Synonym | 3,4-difluoroiodobenzene,1,2-difluoro-4-iodo-benzene,benzene, 1,2-difluoro-4-iodo,3,4-difluoro iodobenzene,pubchem3461,3,4-difluoro-iodobenzene,3,4-difluorophenyl iodide,3,4-difluoro-1-iodobenzene,1-iodo-3,4-difluoro-benzene |
| IUPAC Name | 1,2-difluoro-4-iodobenzene |
| InChI Key | KSASJELKLBIMSG-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
6-Amino-2-naphthalenesulfonic Acid Monohydrate 98.0+%, TCI America™
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CAS: 93-00-5 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD04038015 InChI Key: SEMRCUIXRUXGJX-UHFFFAOYSA-N PubChem CID: 7116 ChEBI: CHEBI:20700 IUPAC Name: 6-aminonaphthalene-2-sulfonic acid SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N
| PubChem CID | 7116 |
|---|---|
| CAS | 93-00-5 |
| Molecular Weight (g/mol) | 223.246 |
| ChEBI | CHEBI:20700 |
| MDL Number | MFCD04038015 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N |
| IUPAC Name | 6-aminonaphthalene-2-sulfonic acid |
| InChI Key | SEMRCUIXRUXGJX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3S |
4-Bromo-1,2-dimethoxybenzene 97.0+%, TCI America™
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CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC
| PubChem CID | 76114 |
|---|---|
| CAS | 2859-78-1 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD00008381 |
| SMILES | COC1=C(C=C(C=C1)Br)OC |
| Synonym | 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol |
| IUPAC Name | 4-bromo-1,2-dimethoxybenzene |
| InChI Key | KBTMGSMZIKLAHN-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
4-tert-Butylbenzenesulfonamide 98.0+%, TCI America™
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CAS: 6292-59-7 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00068599 InChI Key: KYDZEZNYRFJCSA-UHFFFAOYSA-N PubChem CID: 222872 IUPAC Name: 4-tert-butylbenzenesulfonamide SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 222872 |
|---|---|
| CAS | 6292-59-7 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00068599 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N |
| IUPAC Name | 4-tert-butylbenzenesulfonamide |
| InChI Key | KYDZEZNYRFJCSA-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
4,5-Dimethoxy-2-nitrobenzyl Alcohol 98.0+%, TCI America™
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CAS: 1016-58-6 Molecular Formula: C9H11NO5 Molecular Weight (g/mol): 213.189 MDL Number: MFCD00014701 InChI Key: WBSCOJBVYHQOFB-UHFFFAOYSA-N Synonym: 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol PubChem CID: 66097 IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methanol SMILES: COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC
| PubChem CID | 66097 |
|---|---|
| CAS | 1016-58-6 |
| Molecular Weight (g/mol) | 213.189 |
| MDL Number | MFCD00014701 |
| SMILES | COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC |
| Synonym | 4,5-dimethoxy-2-nitrobenzyl alcohol,6-nitroveratryl alcohol,4,5-dimethoxy-2-nitrophenyl methanol,benzenemethanol, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzyl alcohol,3,4-dimethoxy-6-nitrobenzyl alcohol,4,5-dimethoxy-2-nitrophenyl methan-1-ol,6-nitroveratrylalcohol,pubchem8715,4,5-dimethoxy 2-nitrobenzyl alcohol |
| IUPAC Name | (4,5-dimethoxy-2-nitrophenyl)methanol |
| InChI Key | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO5 |
4-Bromophthalonitrile 97.0+%, TCI America™
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CAS: 70484-01-4 Molecular Formula: C8H3BrN2 Molecular Weight (g/mol): 207.03 MDL Number: MFCD00221794 InChI Key: ARAONWRSVQOHIT-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-dicyanobenzene PubChem CID: 11356223 IUPAC Name: 4-bromobenzene-1,2-dicarbonitrile SMILES: BrC1=CC(C#N)=C(C=C1)C#N
| PubChem CID | 11356223 |
|---|---|
| CAS | 70484-01-4 |
| Molecular Weight (g/mol) | 207.03 |
| MDL Number | MFCD00221794 |
| SMILES | BrC1=CC(C#N)=C(C=C1)C#N |
| Synonym | 4-Bromo-1,2-dicyanobenzene |
| IUPAC Name | 4-bromobenzene-1,2-dicarbonitrile |
| InChI Key | ARAONWRSVQOHIT-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrN2 |
alpha,alpha,alpha',alpha',4-Pentabromo-o-xylene 97.0+%, TCI America™
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CAS: 4235-46-5 Molecular Formula: C8H5Br5 Molecular Weight (g/mol): 500.65 MDL Number: MFCD00465850 InChI Key: MSKRZYXIEGFYFD-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-bis(dibromomethyl)benzene PubChem CID: 5151205 IUPAC Name: 4-bromo-1,2-bis(dibromomethyl)benzene SMILES: BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br
| PubChem CID | 5151205 |
|---|---|
| CAS | 4235-46-5 |
| Molecular Weight (g/mol) | 500.65 |
| MDL Number | MFCD00465850 |
| SMILES | BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br |
| Synonym | 4-Bromo-1,2-bis(dibromomethyl)benzene |
| IUPAC Name | 4-bromo-1,2-bis(dibromomethyl)benzene |
| InChI Key | MSKRZYXIEGFYFD-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br5 |
Carbonyl Cyanide 4-(Trifluoromethoxy)phenylhydrazone 95.0+%, TCI America™
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CAS: 370-86-5 Molecular Formula: C10H5F3N4O Molecular Weight (g/mol): 254.172 MDL Number: MFCD00009699 InChI Key: BMZRVOVNUMQTIN-UHFFFAOYSA-N Synonym: fccp,carbonyl cyanide p-trifluoromethoxyphenylhydrazone,carbonyl cyanide 4-trifluoromethoxy phenylhydrazone,2-2-4-trifluoromethoxy phenyl hydrazono malononitrile,propanedinitrile, 4-trifluoromethoxy phenyl hydrazono,1-cyano-n-4-trifluoromethoxy phenyl methanecarbohydrazonoyl cyanide,carbonyl cyanide 4-trifluoromethoxyphenylhydrazone,carbonyl cyanide, 4-trifluoromethoxyphenylhydrazone,4-trifluoromethoxy phenyl hydrazono malononitrile,mesoxalonitrile, p-trifluoromethoxy phenyl hydrazone PubChem CID: 3330 ChEBI: CHEBI:75458 IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile SMILES: C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
| PubChem CID | 3330 |
|---|---|
| CAS | 370-86-5 |
| Molecular Weight (g/mol) | 254.172 |
| ChEBI | CHEBI:75458 |
| MDL Number | MFCD00009699 |
| SMILES | C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F |
| Synonym | fccp,carbonyl cyanide p-trifluoromethoxyphenylhydrazone,carbonyl cyanide 4-trifluoromethoxy phenylhydrazone,2-2-4-trifluoromethoxy phenyl hydrazono malononitrile,propanedinitrile, 4-trifluoromethoxy phenyl hydrazono,1-cyano-n-4-trifluoromethoxy phenyl methanecarbohydrazonoyl cyanide,carbonyl cyanide 4-trifluoromethoxyphenylhydrazone,carbonyl cyanide, 4-trifluoromethoxyphenylhydrazone,4-trifluoromethoxy phenyl hydrazono malononitrile,mesoxalonitrile, p-trifluoromethoxy phenyl hydrazone |
| IUPAC Name | 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile |
| InChI Key | BMZRVOVNUMQTIN-UHFFFAOYSA-N |
| Molecular Formula | C10H5F3N4O |
3-Nitrophenol 98.0+%, TCI America™
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CAS: 554-84-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007240 InChI Key: RTZZCYNQPHTPPL-UHFFFAOYSA-N Synonym: m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene PubChem CID: 11137 ChEBI: CHEBI:34346 IUPAC Name: 3-nitrophenol SMILES: OC1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 11137 |
|---|---|
| CAS | 554-84-7 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:34346 |
| MDL Number | MFCD00007240 |
| SMILES | OC1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene |
| IUPAC Name | 3-nitrophenol |
| InChI Key | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
4-Chloro-3-fluorobenzaldehyde 97.0+%, TCI America™
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CAS: 5527-95-7 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl
| PubChem CID | 2724985 |
|---|---|
| CAS | 5527-95-7 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143288 |
| SMILES | C1=CC(=C(C=C1C=O)F)Cl |
| Synonym | 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa |
| IUPAC Name | 4-chloro-3-fluorobenzaldehyde |
| InChI Key | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
2-Fluorobenzenesulfonamide 98.0+%, TCI America™
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CAS: 30058-40-3 Molecular Formula: C6H6FNO2S Molecular Weight (g/mol): 175.18 MDL Number: MFCD00042283 InChI Key: WFLBWYLZCQOPCA-UHFFFAOYSA-N Synonym: 2-fluorobenzene-1-sulfonamide,benzenesulfonamide, 2-fluoro,2-fbsa,2weg,pubchem11761,acmc-209hcr,2-fluorophenylsulfonamide,2-sulfamoyl fluorobenzene,2-fluorobenzenesulphonamide,2-flourobenzene sulfonamide PubChem CID: 193663 IUPAC Name: 2-fluorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1F
| PubChem CID | 193663 |
|---|---|
| CAS | 30058-40-3 |
| Molecular Weight (g/mol) | 175.18 |
| MDL Number | MFCD00042283 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1F |
| Synonym | 2-fluorobenzene-1-sulfonamide,benzenesulfonamide, 2-fluoro,2-fbsa,2weg,pubchem11761,acmc-209hcr,2-fluorophenylsulfonamide,2-sulfamoyl fluorobenzene,2-fluorobenzenesulphonamide,2-flourobenzene sulfonamide |
| IUPAC Name | 2-fluorobenzene-1-sulfonamide |
| InChI Key | WFLBWYLZCQOPCA-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO2S |
Cinnamonitrile 95.0+%, TCI America™
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CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
3-Chloro-4-methoxybenzoic Acid 97.0+%, TCI America™
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CAS: 37908-96-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00016512 InChI Key: IBCQUQXCTOPJOD-UHFFFAOYSA-N Synonym: 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid PubChem CID: 169982 IUPAC Name: 3-chloro-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)Cl
| PubChem CID | 169982 |
|---|---|
| CAS | 37908-96-6 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00016512 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)Cl |
| Synonym | 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid |
| IUPAC Name | 3-chloro-4-methoxybenzoic acid |
| InChI Key | IBCQUQXCTOPJOD-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
3-Nitroanisole 99.0+%, TCI America™
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CAS: 555-03-3 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007237 InChI Key: WGYFINWERLNPHR-UHFFFAOYSA-N Synonym: 3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320 PubChem CID: 11140 ChEBI: CHEBI:48972 IUPAC Name: 1-methoxy-3-nitrobenzene SMILES: COC1=CC=CC(=C1)[N+](=O)[O-]
| PubChem CID | 11140 |
|---|---|
| CAS | 555-03-3 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:48972 |
| MDL Number | MFCD00007237 |
| SMILES | COC1=CC=CC(=C1)[N+](=O)[O-] |
| Synonym | 3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320 |
| IUPAC Name | 1-methoxy-3-nitrobenzene |
| InChI Key | WGYFINWERLNPHR-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |