1-[(2-Methoxyphenyl)sulfonyl]-2-nitrobenzene
Basic information
- CAS
61174-20-7- Standard SMILES
COc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
SCDGYHQIJNQZHB-UHFFFAOYSA-N- Molecular formula
- C13H11NO5S
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.03579362
Names & identifiers
- Preferred name
- 1-[(2-Methoxyphenyl)sulfonyl]-2-nitrobenzene
- IUPAC
- 1-(2-methoxyphenyl)sulfonyl-2-nitrobenzene
Names & synonyms
1-[(2-methoxyphenyl)sulfonyl]-2-nitrobenzene61174-20-7Benzene, 1-methoxy-2-[(2-nitrophenyl)sulfonyl]-1-(2-methoxyphenyl)sulfonyl-2-nitrobenzeneOprea1_688330MLS000703768CHEMBL1517875DTXSID80356491HMS2515O05SMR0002246491-Methoxy-2-(2-nitrobenzene-1-sulfonyl)benzeneAE-095/30055004
Database identifiers
- CAS
61174-20-7- PubChem CID
- 824906
- DTXSID
DTXSID80356491- ChEMBL
CHEMBL1517875
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
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Related reactions
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Compound notes
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