Cas no 49789-04-0 (Methanesulfonic acid, trifluoro-, monohydrate)

Methanesulfonic acid, trifluoro-, monohydrate structure
49789-04-0 structure
Product Name:Methanesulfonic acid, trifluoro-, monohydrate
CAS No:49789-04-0
MF:CH3F3O4S
MW:168.092330217361
CID:324040
PubChem ID:17943241
Update Time:2025-04-19

Methanesulfonic acid, trifluoro-, monohydrate Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, monohydrate
    • trifluoromethanesulfonic acid,hydrate
    • trifluoromethanesulphonic acid monohydrate
    • 49789-04-0
    • IJRWZHQVUFBROL-UHFFFAOYSA-N
    • trifluoromethane sulfonic acid monohydrate
    • SCHEMBL1618610
    • Trifluoromethanesulfonic acid--water (1/1)
    • DTXSID00591685
    • Inchi: 1S/CHF3O3S.H2O/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H2
    • InChI Key: YZFVQLCAVQBYIJ-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)O.O

Computed Properties

  • Exact Mass: 167.97041423g/mol
  • Monoisotopic Mass: 167.97041423g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 158
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.8?2
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