Cas no 65325-69-1 (1-chloro-4-[(fluoromethyl)sulfinyl]benzene)

1-chloro-4-[(fluoromethyl)sulfinyl]benzene structure
65325-69-1 structure
Product Name:1-chloro-4-[(fluoromethyl)sulfinyl]benzene
CAS No:65325-69-1
MF:C7H6ClFOS
MW:192.638343334198
CID:889344
PubChem ID:325135
Update Time:2025-04-19

1-chloro-4-[(fluoromethyl)sulfinyl]benzene Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-4-[(fluoromethyl)sulfinyl]benzene
    • 1-chloro-4-(fluoromethylsulfinyl)benzene
    • Inchi: 1S/C7H6ClFOS/c8-6-1-3-7(4-2-6)11(10)5-9/h1-4H,5H2
    • InChI Key: BZXPFSLPSCQEFZ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(CF)=O

Computed Properties

  • Exact Mass: 191.98128
  • Monoisotopic Mass: 191.9811918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 145
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07
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