Basic information
- Standard SMILES
O=[N+]([O-])c1cc(S(=O)O)ccc1Cl- InChIKey
RZTFYZSXSDRAIB-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO4S
- Average molar mass
- 221.62 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-nitrobenzenesulfinic acid
- IUPAC
- 4-chloro-3-nitrobenzenesulfinic acid
Names & synonyms
4-chloro-3-nitrobenzenesulfinic acidSCHEMBL3805821SCHEMBL4633629RZTFYZSXSDRAIB-UHFFFAOYSA-N4-chloro-3-nitrobenzenesulphinic acid
Database identifiers
- PubChem CID
- 4097544
- Nikkaji
- J31.284C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Related reactions
3 records
Compound notes
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