Cas no 447462-92-2 (Phenol,2-fluoro-3-methoxy-5-methyl-)

Phenol,2-fluoro-3-methoxy-5-methyl- structure
447462-92-2 structure
Product Name:Phenol,2-fluoro-3-methoxy-5-methyl-
CAS No:447462-92-2
MF:C8H9FO2
MW:156.154266119003
CID:327717
Update Time:2024-01-28

Phenol,2-fluoro-3-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol,2-fluoro-3-methoxy-5-methyl-
    • Phenol, 2-fluoro-3-methoxy-5-methyl- (9CI)
    • Phenol, 2-fluoro-3-methoxy-5-methyl-
    • Inchi: 1S/C8H9FO2/c1-5-3-6(10)8(9)7(4-5)11-2/h3-4,10H,1-2H3
    • InChI Key: JRUPKKUMCQAMGW-UHFFFAOYSA-N
    • SMILES: C1(O)=CC(C)=CC(OC)=C1F

Computed Properties

  • Exact Mass: 156.059
  • Monoisotopic Mass: 156.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 29.5A^2

Experimental Properties

  • Density: 1.179±0.06 g/cm3(Predicted)
  • Boiling Point: 248.3±35.0 °C(Predicted)
  • pka: 8.44±0.15(Predicted)
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