Basic information
- CAS
58844-75-0- Standard SMILES
Cc1cccc(S(=O)(=O)c2ccccc2C(=O)O)c1C- InChIKey
ADTDTEOEJQZOKN-UHFFFAOYSA-N- Molecular formula
- C15H14O4S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0612801
Names & identifiers
- Preferred name
- Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
- IUPAC
- 2-(2,3-dimethylphenyl)sulfonylbenzoic acid
- English name
- 2-[(2,3-Dimethylphenyl)sulfonyl]benzoic acid
- Molecular formula
- C15H14O4S
- Molecular weight
- 290.33
Names & synonyms
o-((2,3-Xylyl)sulfonyl)benzoic acid58844-75-0BRN 21392192-((2,3-Dimethylphenyl)sulfonyl)benzoic acidBenzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-DTXSID50207567BENZOIC ACID, o-((2,3-XYLYL)SULFONYL)-RefChem:326608DTXCID00130058Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-(9CI)CHEMBL3277077Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (9CI)
Show more names
2-[(2,3-Dimethylphenyl)sulfonyl]benzoic acidBenzoic acid, 2-[(2,3-dimethylphenyl)sulfonyl]-
DB-2604632-[(2,3-Dimethylphenyl)sulfonyl ]benzoic acid2-(2,3-Dimethylbenzene-1-sulfonyl)benzoic acid
Database identifiers
- CAS
58844-75-0- PubChem CID
- 42858
- DTXSID
DTXSID50207567- ChEMBL
CHEMBL3277077- Nikkaji
- J87.860J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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