Cas no 153230-83-2 (Benzaldehyde, 4-[(2-chloroethyl)sulfonyl]-)

Benzaldehyde, 4-[(2-chloroethyl)sulfonyl]- structure
153230-83-2 structure
Product Name:Benzaldehyde, 4-[(2-chloroethyl)sulfonyl]-
CAS No:153230-83-2
MF:C9H9ClO3S
MW:232.683960676193
CID:1333204
PubChem ID:18987852
Update Time:2025-04-20

Benzaldehyde, 4-[(2-chloroethyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 4-[(2-chloroethyl)sulfonyl]-
    • 153230-83-2
    • benzaldehyde,4-[(2-chloroethyl)sulfonyl]-
    • SCHEMBL8666666
    • Inchi: 1S/C9H9ClO3S/c10-5-6-14(12,13)9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
    • InChI Key: UKEHFTNEUYKCNB-UHFFFAOYSA-N
    • SMILES: ClCCS(C1C=CC(C=O)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 231.99617
  • 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: 4
  • Complexity: 273
  • 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: 1.2
  • Topological Polar Surface Area: 59.6?2

Experimental Properties

  • PSA: 51.21
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