Cas no 1803832-70-3 (4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile)

4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile structure
1803832-70-3 structure
Product Name:4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile
CAS No:1803832-70-3
MF:C9H4F5NO2
MW:253.125579833984
CID:4706054
Update Time:2023-08-15

4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Difluoromethoxy-2-(trifluoromethoxy)benzonitrile
    • Inchi: 1S/C9H4F5NO2/c10-8(11)16-6-2-1-5(4-15)7(3-6)17-9(12,13)14/h1-3,8H
    • InChI Key: TULSKQROKLOVNR-UHFFFAOYSA-N
    • SMILES: FC(OC1C(C#N)=CC=C(C=1)OC(F)F)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 298
  • Topological Polar Surface Area: 42.2
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