4-Chloro-2-nitro-1-(propane-2-sulfonyl)benzene
Basic information
- CAS
90346-81-9- Standard SMILES
CC(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
VPQVEGOHNVZNLW-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0019067
Names & identifiers
- Preferred name
- 4-Chloro-2-nitro-1-(propane-2-sulfonyl)benzene
- IUPAC
- 4-chloro-2-nitro-1-propan-2-ylsulfonylbenzene
Names & synonyms
90346-81-9NSC3102584-Chloro-2-nitro-1-(propane-2-sulfonyl)benzeneSCHEMBL14866071DTXSID70317051NSC-310258DS-0149344-chloro-2-nitro-1-propan-2-ylsulfonyl-benzene
Database identifiers
- CAS
90346-81-9- PubChem CID
- 329130
- DTXSID
DTXSID70317051
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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