Basic information
- CAS
69564-62-1- Standard SMILES
CC(C)OS(=O)(=O)c1ccc(Cl)cc1- InChIKey
QSWUXCJBPTUVQG-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3S
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 234.0117431
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-chloro-, 1-methylethyl ester
- IUPAC
- propan-2-yl 4-chlorobenzenesulfonate
Names & synonyms
Benzenesulfonic acid, 4-chloro-, 1-methylethyl ester69564-62-1DTXSID10219823RefChem:325568DTXCID60142314propan-2-yl 4-chlorobenzene-1-sulfonateSV8AY8HLQ3Isopropyl p-chlorobenzenesulfonate1-Methylethyl 4-chlorobenzenesulfonateISOPROPYL 4-CHLOROBENZENESULFONATE
Database identifiers
- CAS
69564-62-1- PubChem CID
- 149459
- DTXSID
DTXSID10219823- UNII
- SV8AY8HLQ3
- Nikkaji
- J1.708.248E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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