Cas no 893567-22-1 (5-Bromo-2-(cyclobutyl)pyrimidine)

5-Bromo-2-(cyclobutyl)pyrimidine structure
893567-22-1 structure
Product Name:5-Bromo-2-(cyclobutyl)pyrimidine
CAS No:893567-22-1
MF:C8H9BrN2
MW:213.074460744858
CID:2194586
Update Time:2023-11-18

5-Bromo-2-(cyclobutyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(cyclobutyl)pyrimidine
    • 5-Bromo-2-cyclobutylpyrimidine
    • Pyrimidine, 5-bromo-2-cyclobutyl-
    • CID 49758499
    • Inchi: 1S/C8H9BrN2/c9-7-4-10-8(11-5-7)6-2-1-3-6/h4-6H,1-3H2
    • InChI Key: GGRDQVNIRHJZCI-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C2CCC2)=NC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 128
  • Topological Polar Surface Area: 25.8

Experimental Properties

  • Density: 1.546±0.06 g/cm3(Predicted)
  • Boiling Point: 272.6±13.0 °C(Predicted)
  • pka: 0.56±0.22(Predicted)

5-Bromo-2-(cyclobutyl)pyrimidine Pricemore >>

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