ChemSpider 2D Image | 3-Chloro-5-cyclohexyl-1H-1,2,4-triazole | C8H12ClN3

3-Chloro-5-cyclohexyl-1H-1,2,4-triazole

  • Molecular FormulaC8H12ClN3
  • Average mass185.654 Da
  • Monoisotopic mass185.071976 Da
  • ChemSpider ID26456058

More details:

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

1279219-35-0 [RN]
1H-1,2,4-Triazole, 3-chloro-5-cyclohexyl- [ACD/Index Name]
3-Chlor-5-cyclohexyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Chloro-5-cyclohexyl-1H-1,2,4-triazole [ACD/IUPAC Name]
3-Chloro-5-cyclohexyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
MFCD18783023 [MDL number]
VS-11684

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 358.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 202.2±8.8 °C
    Index of Refraction: 1.560
    Molar Refractivity: 47.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 43.58
    ACD/KOC (pH 5.5): 518.80
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.75
    ACD/KOC (pH 7.4): 508.91
    Polar Surface Area: 42 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 147.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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