Cas no 565203-82-9 ([1,1'-BIPHENYL]-3-CARBONITRILE, 6-METHOXY-3'-(TRIFLUOROMETHOXY)-)

[1,1'-BIPHENYL]-3-CARBONITRILE, 6-METHOXY-3'-(TRIFLUOROMETHOXY)- structure
565203-82-9 structure
Product Name:[1,1'-BIPHENYL]-3-CARBONITRILE, 6-METHOXY-3'-(TRIFLUOROMETHOXY)-
CAS No:565203-82-9
MF:C15H10F3NO2
MW:293.240614414215
CID:3169267
PubChem ID:85847979
Update Time:2025-04-21

[1,1'-BIPHENYL]-3-CARBONITRILE, 6-METHOXY-3'-(TRIFLUOROMETHOXY)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-BIPHENYL]-3-CARBONITRILE, 6-METHOXY-3'-(TRIFLUOROMETHOXY)-
    • 4-methoxy-3-[3-(trifluoromethoxy)phenyl]benzonitrile
    • 565203-82-9
    • 6-Methoxy-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carbonitrile
    • A1-39562
    • Inchi: 1S/C15H10F3NO2/c1-20-14-6-5-10(9-19)7-13(14)11-3-2-4-12(8-11)21-15(16,17)18/h2-8H,1H3
    • InChI Key: IQAZFCUHAOZAMN-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC=CC(=C1)C1C=C(C#N)C=CC=1OC)(F)F

Computed Properties

  • Exact Mass: 293.06636305Da
  • Monoisotopic Mass: 293.06636305Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 390
  • 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: 4.4
  • Topological Polar Surface Area: 42.3?2
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