Benzoic acid, o-(phenylsulfinyl)-
Basic information
- CAS
32664-47-4- Standard SMILES
O=C(O)c1ccccc1S(=O)c1ccccc1- InChIKey
JKCQTQLPTWLIRL-UHFFFAOYSA-N- Molecular formula
- C13H10O3S
- Average molar mass
- 246.28 g/mol
- Monoisotopic mass
- 246.03506535
Names & identifiers
- Preferred name
- Benzoic acid, o-(phenylsulfinyl)-
- IUPAC
- 2-(benzenesulfinyl)benzoic acid
- English name
- o-(Phenylsulfinyl)benzoic acid
- Molecular weight
- 0
Names & synonyms
32664-47-4BENZOIC ACID, o-(PHENYLSULFINYL)-RefChem:10792212-(Phenylsulfinyl)benzoic acidBenzoic acid, 2-(phenylsulfinyl)-NSC 289492BRN 21108980-10-00-00127 (Beilstein Handbook Reference)SCHEMBL506130CHEMBL3277070NSC289492NSC-289492
Show more names
o-(Phenylsulfinyl)benzoic acid
Database identifiers
- CAS
32664-47-4- PubChem CID
- 36206
- ChEMBL
CHEMBL3277070- Nikkaji
- J83.490D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…