Cas no 398156-36-0 ([1,1'-BIPHENYL]-4-CARBONYL CHLORIDE, 4'-(TRIFLUOROMETHOXY)-)

[1,1'-BIPHENYL]-4-CARBONYL CHLORIDE, 4'-(TRIFLUOROMETHOXY)- structure
398156-36-0 structure
Product Name:[1,1'-BIPHENYL]-4-CARBONYL CHLORIDE, 4'-(TRIFLUOROMETHOXY)-
CAS No:398156-36-0
MF:C14H8ClF3O2
MW:300.660333633423
CID:3170087
PubChem ID:85808296
Update Time:2025-04-21

[1,1'-BIPHENYL]-4-CARBONYL CHLORIDE, 4'-(TRIFLUOROMETHOXY)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-BIPHENYL]-4-CARBONYL CHLORIDE, 4'-(TRIFLUOROMETHOXY)-
    • 4-[4-(trifluoromethoxy)phenyl]benzoyl chloride
    • 4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-carbonyl chloride
    • DB-137734
    • SCHEMBL22815931
    • GJDMVQDGBQIYAB-UHFFFAOYSA-N
    • 398156-36-0
    • Inchi: 1S/C14H8ClF3O2/c15-13(19)11-3-1-9(2-4-11)10-5-7-12(8-6-10)20-14(16,17)18/h1-8H
    • InChI Key: GJDMVQDGBQIYAB-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)C1C=CC(=CC=1)OC(F)(F)F)=O

Computed Properties

  • Exact Mass: 300.0164917Da
  • Monoisotopic Mass: 300.0164917Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 330
  • 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: 5.2
  • Topological Polar Surface Area: 26.3?2
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