4-Chloro-3-methylphenyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
599-85-9- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1- InChIKey
CGPJEKIQZSYWLP-UHFFFAOYSA-N- Molecular formula
- C14H13ClO3S
- Average molar mass
- 296.8 g/mol
- Monoisotopic mass
- 296.0273931
Names & identifiers
- Preferred name
- 4-Chloro-3-methylphenyl 4-methylbenzene-1-sulfonate
- IUPAC
- (4-chloro-3-methylphenyl) 4-methylbenzenesulfonate
Names & synonyms
599-85-94-Chloro-3-methylphenyl 4-methylbenzene-1-sulfonateNSC3794SCHEMBL17355706DTXSID50975310NSC-3794NSC97268NSC-97268AKOS008680074EN300-7321278
Database identifiers
- CAS
599-85-9- PubChem CID
- 220702
- DTXSID
DTXSID50975310- Nikkaji
- J96.127B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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