Basic information
- CAS
5324-88-9- Standard SMILES
O=C(O)c1c(Br)cccc1S(=O)(=O)c1ccccc1- InChIKey
DILFFTYQSOGXCF-UHFFFAOYSA-N- Molecular formula
- C13H9BrO4S
- Average molar mass
- 341.18 g/mol
- Monoisotopic mass
- 339.94049
Names & identifiers
- Preferred name
- 2-Bromo-6-(phenylsulfonyl)benzoic acid
- IUPAC
- 2-(benzenesulfonyl)-6-bromobenzoic acid
Names & synonyms
5324-88-92-BROMO-6-(PHENYLSULFONYL)BENZOIC ACID2-(benzenesulfonyl)-6-bromobenzoic acidNSC27442-(phenylsulfonyl)-6-bromobenzoic acidDTXSID20277530NSC-2744
Database identifiers
- CAS
5324-88-9- PubChem CID
- 220262
- DTXSID
DTXSID20277530
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…