Cas no 170482-99-2 (Benzaldehyde, 3-fluoro-2-hydroxy-6-methoxy-)

Benzaldehyde,  3-fluoro-2-hydroxy-6-methoxy- structure
170482-99-2 structure
Product Name:Benzaldehyde, 3-fluoro-2-hydroxy-6-methoxy-
CAS No:170482-99-2
MF:C8H7FO3
MW:170.137786149979
CID:877658
PubChem ID:19028230
Update Time:2025-04-19

Benzaldehyde, 3-fluoro-2-hydroxy-6-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-fluoro-2-hydroxy-6-methoxy-
    • 3-fluoro-2-hydroxy-6-methoxybenzaldehyde
    • Inchi: 1S/C8H7FO3/c1-12-7-3-2-6(9)8(11)5(7)4-10/h2-4,11H,1H3
    • InChI Key: XSZTZLJZODVMDG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C=O)C=1O)OC

Computed Properties

  • Exact Mass: 170.03791
  • Monoisotopic Mass: 170.03792224g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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: 1.7
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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