ChemSpider 2D Image | 1-Benzyl-3-bromo-5-methoxy-1H-1,2,4-triazole | C10H10BrN3O

1-Benzyl-3-bromo-5-methoxy-1H-1,2,4-triazole

  • Molecular FormulaC10H10BrN3O
  • Average mass268.110 Da
  • Monoisotopic mass267.000702 Da
  • ChemSpider ID28943045

More details:

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

1415719-60-6 [RN]
1-Benzyl-3-brom-5-methoxy-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-Benzyl-3-bromo-5-methoxy-1H-1,2,4-triazole [ACD/IUPAC Name]
1-Benzyl-3-bromo-5-méthoxy-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-benzyl-3-bromo-5-methoxy-1,2,4-triazole
1H-1,2,4-triazole, 3-bromo-5-methoxy-1-(phenylmethyl)
1H-1,2,4-Triazole, 3-bromo-5-methoxy-1-(phenylmethyl)- [ACD/Index Name]
AGN-PC-0JILUQ
AKOS015998018
BBL033334
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 399.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 195.3±25.9 °C
    Index of Refraction: 1.631
    Molar Refractivity: 62.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.92
    ACD/KOC (pH 5.5): 635.95
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.92
    ACD/KOC (pH 7.4): 635.95
    Polar Surface Area: 40 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 47.6±7.0 dyne/cm
    Molar Volume: 175.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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