Cas no 17763-65-4 (Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-2-yl ester)

Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-2-yl ester structure
17763-65-4 structure
Product Name:Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-2-yl ester
CAS No:17763-65-4
MF:C13H9F3O3S
MW:302.268973112106
CID:1370153
PubChem ID:10902716
Update Time:2025-04-20

Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-2-yl ester Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-2-yl ester
    • (2-phenylphenyl) trifluoromethanesulfonate
    • 1,1'-biphenyl-2-trifluoromethanesulfonate
    • 2-hydroxybiphenyl triflate
    • 2-phenylphenyl triflate
    • biphenyl-2-yl trifluoromethanesulfonate
    • ortho-biphenyl triflate
    • RKXHGAAXTVZDNE-UHFFFAOYSA-N
    • 17763-65-4
    • SCHEMBL367003
    • DTXSID80447818
    • Methanesulfonic acid, 1,1,1-trifluoro-, [1,1'-biphenyl]-2-yl ester
    • biphenyl triflate
    • Inchi: 1S/C13H9F3O3S/c14-13(15,16)20(17,18)19-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
    • InChI Key: RKXHGAAXTVZDNE-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 302.02200
  • Monoisotopic Mass: 302.02244980g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 408
  • 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: 4.3
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 51.75000
  • LogP: 4.66280
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