ChemSpider 2D Image | 5-Bromo-1-cyclohexyl-3-nitro-1H-1,2,4-triazole | C8H11BrN4O2

5-Bromo-1-cyclohexyl-3-nitro-1H-1,2,4-triazole

  • Molecular FormulaC8H11BrN4O2
  • Average mass275.103 Da
  • Monoisotopic mass274.006531 Da
  • ChemSpider ID25082837

More details:

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

1H-1,2,4-Triazole, 5-bromo-1-cyclohexyl-3-nitro- [ACD/Index Name]
5-Brom-1-cyclohexyl-3-nitro-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-Bromo-1-cyclohexyl-3-nitro-1H-1,2,4-triazole [ACD/IUPAC Name]
5-Bromo-1-cyclohexyl-3-nitro-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1245569-85-0 [RN]
5-bromo-1-cyclohexyl-3-nitro-1,2,4-triazole
MFCD17430409 [MDL number]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 447.3±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.3±24.0 °C
    Index of Refraction: 1.742
    Molar Refractivity: 57.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.63
    ACD/KOC (pH 5.5): 282.36
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 18.63
    ACD/KOC (pH 7.4): 282.36
    Polar Surface Area: 77 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 72.8±7.0 dyne/cm
    Molar Volume: 142.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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