Cas no 175359-18-9 (1,3-Benzenediol, 2,4,6-trifluoro-)

1,3-Benzenediol, 2,4,6-trifluoro- structure
175359-18-9 structure
Product Name:1,3-Benzenediol, 2,4,6-trifluoro-
CAS No:175359-18-9
MF:C6H3F3O2
MW:164.082032442093
CID:112023
Update Time:2024-01-24

1,3-Benzenediol, 2,4,6-trifluoro- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 2,4,6-trifluoro-
    • 1,3-Benzenediol, 2,4,6-trifluoro-
    • 2,4,6-trifluorobenzene-1,3-diol
    • Inchi： 1S/C6H3F3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
    • InChI Key： IOMXPJKHTSVFGV-UHFFFAOYSA-N
    • SMILES： C1(O)=C(F)C=C(F)C(O)=C1F

Computed Properties

  • Exact Mass: 164.00849
  • Monoisotopic Mass: 164.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 130
  • 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
  • Topological Polar Surface Area: 40.5A^2

Experimental Properties

  • PSA: 40.46

1,3-Benzenediol, 2,4,6-trifluoro- Related Literature

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