Cas no 37519-09-8 (4-(trifluoromethyl)benzene-1,2-diol)

4-(trifluoromethyl)benzene-1,2-diol structure
37519-09-8 structure
Product Name:4-(trifluoromethyl)benzene-1,2-diol
CAS No:37519-09-8
MF:C7H5F3O2
MW:178.108612775803
CID:1483953
PubChem ID:12040446
Update Time:2024-11-07

4-(trifluoromethyl)benzene-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol, 4-(trifluoromethyl)-
    • 4-(trifluoromethyl)-1,2-benzenediol
    • 37519-09-8
    • SCHEMBL187014
    • 4-trifluoromethyl-benzene-1,2-diol
    • N12659
    • EN300-1599507
    • CK-0724
    • MFCD18395730
    • 4-(trifluoromethyl)benzene-1,2-diol
    • AKOS022193560
    • SY299579
    • 4-(trifluoromethyl)catechol
    • CS-0451820
    • Inchi: 1S/C7H5F3O2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,11-12H
    • InChI Key: RZFLJQHPAGLLPF-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(C=1)O)O)(F)F

Computed Properties

  • Exact Mass: 178.02415
  • Monoisotopic Mass: 178.02416388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 157
  • 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: 1.9
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46

4-(trifluoromethyl)benzene-1,2-diol Pricemore >>

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