ChemSpider 2D Image | 1-Allyl-3-bromo-1H-1,2,4-triazol-5-ol | C5H6BrN3O

1-Allyl-3-bromo-1H-1,2,4-triazol-5-ol

  • Molecular FormulaC5H6BrN3O
  • Average mass204.025 Da
  • Monoisotopic mass202.969421 Da
  • ChemSpider ID59703179

More details:

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

1-Allyl-3-brom-1H-1,2,4-triazol-5-ol [German] [ACD/IUPAC Name]
1-Allyl-3-bromo-1H-1,2,4-triazol-5-ol [ACD/IUPAC Name]
1-Allyl-3-bromo-1H-1,2,4-triazol-5-ol [French] [ACD/IUPAC Name]
1H-1,2,4-Triazol-5-ol, 3-bromo-1-(2-propen-1-yl)- [ACD/Index Name]
2167971-48-2 [RN]
MFCD31381738

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 376.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 181.5±25.9 °C
    Index of Refraction: 1.648
    Molar Refractivity: 41.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 3.99
    ACD/KOC (pH 5.5): 89.57
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.37
    Polar Surface Area: 51 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 54.1±7.0 dyne/cm
    Molar Volume: 113.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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