Cas no 1877691-68-3 (5-Bromopyrimidin-4-ol)

5-Bromopyrimidin-4-ol structure
5-Bromopyrimidin-4-ol structure
Product Name:5-Bromopyrimidin-4-ol
CAS No:1877691-68-3
MF:C4H3BrN2O
MW:174.983419656754
CID:4817702
Update Time:2023-08-18

5-Bromopyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 5-bromopyrimidin-4-ol
    • 5-bromopyrimidin-4(3H)-one
    • 5-Bromo-4-hydroxypyrimidine
    • 5-Bromopyrimidin-4(1H)-one
    • 5-Bromo-1H-pyrimidin-4-one
    • 4(1H)-Pyrimidinone, 5-bromo-
    • 5-Bromo-4(1H)-pyrimidinone
    • 4(3H)-Pyrimidinone, 5-bromo-
    • 5-Bromo-4(3H)-pyrimidinone
    • 5-bromo-3,4-dihydropyrimidin-4-one
    • 5-bromo-1H-pyrimidin-6-one
    • 5-Bromo-4(3H)-pyrimidone
    • 4(3H)-Pyrimidinone,5-bromo-
    • 5-bromo-4-pyrimidone
    • PubChem24352
    • 5-bromo-3H-pyrimidin-4-one
    • 5-Bromopyrimidin-4-ol
    • Inchi: 1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
    • InChI Key: CLJIGLPOBRSBNU-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CNC1=O

Computed Properties

  • Exact Mass: 173.943
  • Monoisotopic Mass: 173.943
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 173
  • 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: 0.2
  • Topological Polar Surface Area: 41.5

Experimental Properties

  • Density: 2
  • Boiling Point: 241 °C at 760 mmHg
  • Flash Point: 99.5 °C
  • Refractive Index: 1.678
  • PSA: 46.01000
  • LogP: 0.94470

5-Bromopyrimidin-4-ol Pricemore >>

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