1H-Pyrrole-2-carboxylic acid, 1-((2-nitrophenyl)sulfonyl)-, methyl ester
Basic information
- CAS
173908-10-6- Standard SMILES
COC(=O)c1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
WCBRSPMAVVVPKN-UHFFFAOYSA-N- Molecular formula
- C12H10N2O6S
- Average molar mass
- 310.28 g/mol
- Monoisotopic mass
- 310.02595722
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 1-((2-nitrophenyl)sulfonyl)-, methyl ester
- IUPAC
- methyl 1-(2-nitrophenyl)sulfonylpyrrole-2-carboxylate
- English name
- methyl 1-(2-nitrophenyl)sulfonylpyrrole-2-carboxylate
- Molecular formula
- C12H10N2O6S
- Molecular weight
- 310.28
Names & synonyms
173908-10-6methyl 1-(2-nitrophenyl)sulfonylpyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-((2-nitrophenyl)sulfonyl)-, methyl esterMethyl 1-((2-Nitrophenyl)sulfonyl)-1H-pyrrole-2-carboxylateMethyl 1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 1-[(2-nitrophenyl)sulfonyl]-, methyl esterCHEMBL356875DTXSID20169683Methyl 1-(2-nitrobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
173908-10-6- PubChem CID
- 464837
- DTXSID
DTXSID20169683- ChEMBL
CHEMBL356875- Nikkaji
- J731.744A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 509
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Compound notes
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