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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(S(=O)[O-])c1- InChIKey
BATQLIHIWSGZNZ-UHFFFAOYSA-M- Molecular formula
- C6H3ClNO4S-
- Average molar mass
- 220.61 g/mol
- Monoisotopic mass
- 219.9471314
Names & identifiers
- Preferred name
- 2-Chloro-5-nitrobenzenesulfinate
- IUPAC
- 2-chloro-5-nitrobenzenesulfinate
Names & synonyms
2-chloro-5-nitrobenzenesulfinateF1113-0318SCHEMBL27596892SMSSF-0063588
Database identifiers
- PubChem CID
- 5228765
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 226
Related reactions
3 records
Compound notes
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