Basic information
- CAS
64325-30-0- Standard SMILES
Cc1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1- InChIKey
GADCTEYUFJRMJL-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2S
- Average molar mass
- 266.74 g/mol
- Monoisotopic mass
- 266.0168285
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzene-1-sulfonyl)-3-methylbenzene
- IUPAC
- 1-(4-chlorophenyl)sulfonyl-3-methylbenzene
Names & synonyms
64325-30-0DTXSID404952941-(4-Chlorobenzene-1-sulfonyl)-3-methylbenzeneRefChem:224964DTXCID80446104SCHEMBL5249687
Database identifiers
- CAS
64325-30-0- PubChem CID
- 12378660
- DTXSID
DTXSID40495294- Nikkaji
- J1.218.464F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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