Basic information
- CAS
91493-71-9- Standard SMILES
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccccc1- InChIKey
CWTHJALFQKJYBW-UHFFFAOYSA-N- Molecular formula
- C12H9NO5S
- Average molar mass
- 279.27 g/mol
- Monoisotopic mass
- 279.02014356
Names & identifiers
- Preferred name
- (2-Nitrophenyl) benzenesulfonate
- IUPAC
- (2-nitrophenyl) benzenesulfonate
Names & synonyms
(2-nitrophenyl) benzenesulfonate2-Nitrophenyl benzenesulfonate91493-71-9NSC629280PhSO3H-2NO2Ph SaltDTXSID00324415NSC406664AKOS034369877NSC-406664NSC-6292802-(Hydroxy(oxido)amino)phenyl benzenesulfonateZ45515107
Database identifiers
- CAS
91493-71-9- PubChem CID
- 347802
- DTXSID
DTXSID00324415
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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