Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
Basic information
- CAS
85650-10-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)OCCCl)c(C)c1- InChIKey
YUGYVJZSOQHHFC-UHFFFAOYSA-N- Molecular formula
- C11H15ClO3S
- Average molar mass
- 262.75 g/mol
- Monoisotopic mass
- 262.0430432
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl 2,4,6-trimethylbenzenesulfonate
Names & synonyms
85650-10-8Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl esterNSC335420CHEMBL17523DTXSID70318760NSC-335420DS-0070332-Chloroethyl 2,4,6-trimethylbenzene-1-sulfonate
Database identifiers
- CAS
85650-10-8- PubChem CID
- 333528
- DTXSID
DTXSID70318760- ChEMBL
CHEMBL17523
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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