3-Methylphenyl benzenesulfonate
Basic information
- CAS
41480-07-3- Standard SMILES
Cc1cccc(OS(=O)(=O)c2ccccc2)c1- InChIKey
STHKCLFVJLLODK-UHFFFAOYSA-N- Molecular formula
- C13H12O3S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.05071541
Names & identifiers
- Preferred name
- 3-Methylphenyl benzenesulfonate
- IUPAC
- (3-methylphenyl) benzenesulfonate
Names & synonyms
3-Methylphenyl benzenesulfonate41480-07-3DTXSID40324419RefChem:281192DTXCID20275536NSC406672m-tolyl benzenesulfonatem-tolyl benzenesulphonateSCHEMBL4127164Benzenesulfonic acid, m-tolyl esterNSC-406672
Database identifiers
- CAS
41480-07-3- PubChem CID
- 347808
- DTXSID
DTXSID40324419
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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