Cas no 138313-22-1 (Methanesulfonic acid, trifluoro-, 3-acetylphenyl ester)

Methanesulfonic acid, trifluoro-, 3-acetylphenyl ester structure
138313-22-1 structure
Product Name:Methanesulfonic acid, trifluoro-, 3-acetylphenyl ester
CAS No:138313-22-1
MF:C9H7F3O4S
MW:268.209692239761
CID:1252343
PubChem ID:15128200
Update Time:2025-04-20

Methanesulfonic acid, trifluoro-, 3-acetylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, 3-acetylphenyl ester
    • HS-7514
    • m-Acetylphenyl trifluoromethanesulfonate
    • 3'-(Trifluoromethylsulfonyloxy)acetophenone
    • VJKSJJXPQXTAFW-UHFFFAOYSA-N
    • 3-acetylphenyl trifluoromethanesulfonate
    • SCHEMBL8503398
    • 138313-22-1
    • Inchi: 1S/C9H7F3O4S/c1-6(13)7-3-2-4-8(5-7)16-17(14,15)9(10,11)12/h2-5H,1H3
    • InChI Key: VJKSJJXPQXTAFW-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)OC1C=CC=C(C(C)=O)C=1

Computed Properties

  • Exact Mass: 268.00171436g/mol
  • Monoisotopic Mass: 268.00171436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 382
  • 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: 2.6
  • Topological Polar Surface Area: 68.8?2
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