Cas no 51303-72-1 (Benzene, [(2-fluoroethyl)sulfonyl]-)

Benzene, [(2-fluoroethyl)sulfonyl]- structure
51303-72-1 structure
Product Name:Benzene, [(2-fluoroethyl)sulfonyl]-
CAS No:51303-72-1
MF:C8H9FO2S
MW:188.219264745712
CID:362592
PubChem ID:66796542
Update Time:2025-04-19

Benzene, [(2-fluoroethyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(2-fluoroethyl)sulfonyl]-
    • 2-fluoroethylsulfonylbenzene
    • DTXSID70735791
    • (2-Fluoroethanesulfonyl)benzene
    • SCHEMBL778246
    • 51303-72-1
    • Inchi: 1S/C8H9FO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
    • InChI Key: KSSCPGBAPDVQEE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(CCF)(=O)=O

Computed Properties

  • Exact Mass: 188.03077
  • Monoisotopic Mass: 188.03072886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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: 1.5
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14
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