Cas no 1540523-04-3 (1-(6-Bromopyridin-2-yl)propan-2-ol)

1-(6-Bromopyridin-2-yl)propan-2-ol structure
1540523-04-3 structure
Product Name:1-(6-Bromopyridin-2-yl)propan-2-ol
CAS No:1540523-04-3
MF:C8H10BrNO
MW:216.07510137558
CID:5755487
PubChem ID:83675692
Update Time:2023-12-26

1-(6-Bromopyridin-2-yl)propan-2-ol Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL1249740
    • 1-(6-bromopyridin-2-yl)propan-2-ol
    • EN300-1918427
    • 1540523-04-3
    • 2-Pyridineethanol, 6-bromo-α-methyl-
    • 1-(6-Bromopyridin-2-yl)propan-2-ol
    • Inchi: 1S/C8H10BrNO/c1-6(11)5-7-3-2-4-8(9)10-7/h2-4,6,11H,5H2,1H3
    • InChI Key: IFXCHRVXXPCPKJ-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(CC(C)O)=N1

Computed Properties

  • Exact Mass: 214.99458g/mol
  • Monoisotopic Mass: 214.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • Density: 1.479±0.06 g/cm3(Predicted)
  • Boiling Point: 296.5±25.0 °C(Predicted)
  • pka: 14.43±0.20(Predicted)

1-(6-Bromopyridin-2-yl)propan-2-ol Pricemore >>

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