ChemSpider 2D Image | 6-Bromo[1,2,4]triazolo[4,3-a]pyrimidine | C5H3BrN4

6-Bromo[1,2,4]triazolo[4,3-a]pyrimidine

  • Molecular FormulaC5H3BrN4
  • Average mass199.008 Da
  • Monoisotopic mass197.954102 Da
  • ChemSpider ID27231040

More details:

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

1-(Difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
1,2,4-Triazolo[4,3-a]pyrimidine, 6-bromo- [ACD/Index Name]
1006319-91-0 [RN]
6-Brom[1,2,4]triazolo[4,3-a]pyrimidin [German] [ACD/IUPAC Name]
6-Bromo[1,2,4]triazolo[4,3-a]pyrimidine [ACD/IUPAC Name]
6-Bromo[1,2,4]triazolo[4,3-a]pyrimidine [French] [ACD/IUPAC Name]
1019023-12-1 [RN]
6-bromo-[1,2,4]triazolo[4,3-a]pyrimidine
CS-16090
MFCD09994391 [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: 0.26
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.13
    ACD/KOC (pH 5.5): 59.75
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.13
    ACD/KOC (pH 7.4): 59.75
    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

    Click to predict properties on the Chemicalize site


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