Basic information
- CAS
88-25-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
BBEOLFRJEBVKDW-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO6S
- Average molar mass
- 253.62 g/mol
- Monoisotopic mass
- 252.9447857
Names & identifiers
- Preferred name
- 5-Chloro-2-hydroxy-3-nitrobenzenesulfonic acid
- IUPAC
- 5-chloro-2-hydroxy-3-nitrobenzenesulfonic acid
- English name
- 4-Chloro-2-nitrophenol-6-sulfonic acid
- Molecular formula
- C6H4ClNO6S
- Molecular weight
- 253.62
Names & synonyms
5-chloro-2-hydroxy-3-nitrobenzenesulfonic acid4-chloro-2-nitrophenol-6-sulfonic acid132983-46-15-chloro-2-hydroxy-3-nitrobenzene-1-sulfonic acid88-25-5SCHEMBL9190266DTXSID901248393Benzenesulfonic acid, 5-chloro-2-hydroxy-3-nitro-
Database identifiers
- CAS
88-25-5- PubChem CID
- 4410550
- DTXSID
DTXSID901248393- EC Number
- 618-131-2
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 346
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…