Cas no 115726-23-3 (Methanesulfonic acid, trifluoro-, triphenylmethyl ester)

Methanesulfonic acid, trifluoro-, triphenylmethyl ester structure
115726-23-3 structure
Product Name:Methanesulfonic acid, trifluoro-, triphenylmethyl ester
CAS No:115726-23-3
MF:C20H15F3O3S
MW:392.391515016556
CID:1205033
PubChem ID:10916182
Update Time:2025-04-20

Methanesulfonic acid, trifluoro-, triphenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, triphenylmethyl ester
    • trityl trifluoromethanesulfonate
    • 115726-23-3
    • PLICTRYCJYQADS-UHFFFAOYSA-N
    • SCHEMBL3132299
    • DTXSID40448245
    • AKOS040767353
    • Tritylium trifluoromethanesulfonate
    • Inchi: 1S/C20H15F3O3S/c21-20(22,23)27(24,25)26-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
    • InChI Key: PLICTRYCJYQADS-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)OC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 392.06945
  • Monoisotopic Mass: 392.06940000g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 519
  • 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: 5.5
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 43.37
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