Basic information
- Standard SMILES
O=C(O)c1c([N+](=O)[O-])cccc1S(=O)(=O)O- InChIKey
DJPMYTPDPAGNKN-UHFFFAOYSA-N- Molecular formula
- C7H5NO7S
- Average molar mass
- 247.18 g/mol
- Monoisotopic mass
- 246.97867267
Names & identifiers
- Preferred name
- 2-Carboxy-nitrobenzenesulfonic acid
- IUPAC
- 2-nitro-6-sulfobenzoic acid
Names & synonyms
SCHEMBL8661200DJPMYTPDPAGNKN-UHFFFAOYSA-N2-Carboxy-nitrobenzenesulfonic acid
Database identifiers
- PubChem CID
- 19693800
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 392
Related reactions
1 records
Linked notes
Loading…