Cas no 856954-61-5 (3,5-Pyridinediol,2,6-dichloro-)

3,5-Pyridinediol,2,6-dichloro- structure
856954-61-5 structure
Product Name:3,5-Pyridinediol,2,6-dichloro-
CAS No:856954-61-5
MF:C5H3Cl2NO2
MW:179.988819360733
CID:717633
Update Time:2024-01-31

3,5-Pyridinediol,2,6-dichloro- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Pyridinediol,2,6-dichloro-
    • 3,5-Pyridinediol, 2,6-dichloro-
    • Inchi： 1S/C5H3Cl2NO2/c6-4-2(9)1-3(10)5(7)8-4/h1,9-10H
    • InChI Key： FKZNEEVUEJZQFC-UHFFFAOYSA-N
    • SMILES： C1(Cl)=NC(Cl)=C(O)C=C1O

Computed Properties

  • Exact Mass: 178.954
  • Monoisotopic Mass: 178.954
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 112
  • 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: 53.4A^2

Experimental Properties

  • Density: 1.740±0.06 g/cm3(Predicted)
  • Boiling Point: 488.0±40.0 °C(Predicted)
  • pka: 3.48±0.10(Predicted)

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