ChemSpider 2D Image | 3-Bromo[1,2,4]triazolo[4,3-a]pyrazine | C5H3BrN4

3-Bromo[1,2,4]triazolo[4,3-a]pyrazine

  • Molecular FormulaC5H3BrN4
  • Average mass199.008 Da
  • Monoisotopic mass197.954102 Da
  • ChemSpider ID28535859

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,4-Triazolo[4,3-a]pyrazine, 3-bromo- [ACD/Index Name]
1159554-51-4 [RN]
3-Brom[1,2,4]triazolo[4,3-a]pyrazin [German] [ACD/IUPAC Name]
3-Bromo[1,2,4]triazolo[4,3-a]pyrazine [ACD/IUPAC Name]
3-Bromo[1,2,4]triazolo[4,3-a]pyrazine [French] [ACD/IUPAC Name]
3-Bromo-[1,2,4]triazolo[4,3-a]pyrazine
[1159554-51-4] [RN]
MFCD11856748 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.835
    Molar Refractivity: 41.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): 0.64
    ACD/BCF (pH 5.5): 1.81
    ACD/KOC (pH 5.5): 53.18
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.81
    ACD/KOC (pH 7.4): 53.18
    Polar Surface Area: 43 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 75.1±7.0 dyne/cm
    Molar Volume: 93.3±7.0 cm3

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