Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)[O-])cc1- InChIKey
STEQAYAHDVOFEC-UHFFFAOYSA-M- Molecular formula
- C6H4NO4S-
- Average molar mass
- 186.17 g/mol
Names & identifiers
- Preferred name
- CID 277290
- IUPAC
- 4-nitrobenzenesulfinate
Names & synonyms
SCHEMBL13711225
Database identifiers
- PubChem CID
- 277290
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 189
Related reactions
1 records
Compound notes
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