Cas no 89313-30-4 (Benzenesulfonyl chloride, 3-(2-oxopropyl)-)

Benzenesulfonyl chloride, 3-(2-oxopropyl)- structure
89313-30-4 structure
Product Name:Benzenesulfonyl chloride, 3-(2-oxopropyl)-
CAS No:89313-30-4
MF:C9H9ClO3S
MW:232.683960676193
CID:604586
PubChem ID:57733073
Update Time:2025-04-19

Benzenesulfonyl chloride, 3-(2-oxopropyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonyl chloride, 3-(2-oxopropyl)-
    • 3-(2-oxopropyl)benzenesulfonyl chloride
    • SCHEMBL11153241
    • 89313-30-4
    • DTXSID10727791
    • 3-(2-Oxopropyl)benzene-1-sulfonyl chloride
    • Inchi: 1S/C9H9ClO3S/c1-7(11)5-8-3-2-4-9(6-8)14(10,12)13/h2-4,6H,5H2,1H3
    • InChI Key: HHLXCHJFAMWNSS-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC=CC(=C1)CC(C)=O)(=O)=O

Computed Properties

  • Exact Mass: 231.9960930g/mol
  • Monoisotopic Mass: 231.9960930g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 305
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 59.6?2
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