Cas no 89735-30-8 (1,2-Benzenediol, 4-fluoro-5-(hydroxymethyl)-)

1,2-Benzenediol, 4-fluoro-5-(hydroxymethyl)- structure
89735-30-8 structure
Product Name:1,2-Benzenediol, 4-fluoro-5-(hydroxymethyl)-
CAS No:89735-30-8
MF:C7H7FO3
MW:158.127085924149
CID:590965
PubChem ID:71325885
Update Time:2025-04-19

1,2-Benzenediol, 4-fluoro-5-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol, 4-fluoro-5-(hydroxymethyl)-
    • 4-fluoro-5-(hydroxymethyl)benzene-1,2-diol
    • DTXSID30755152
    • 89735-30-8
    • Inchi: 1S/C7H7FO3/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2,9-11H,3H2
    • InChI Key: RMVVYWAHGBJBTI-UHFFFAOYSA-N
    • SMILES: FC1=CC(=C(C=C1CO)O)O

Computed Properties

  • Exact Mass: 158.03792224g/mol
  • Monoisotopic Mass: 158.03792224g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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: 0.4
  • Topological Polar Surface Area: 60.7?2
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