Found 7032 results

Search term: MF = 'C_{12}H_{14}BrN_{3}O'
ChemSpider 2D Image | 1-benzyl-3-bromo-5-(propan-2-yloxy)-1H-1,2,4-triazole | C12H14BrN3O

1-benzyl-3-bromo-5-(propan-2-yloxy)-1H-1,2,4-triazole

  • Molecular FormulaC12H14BrN3O
  • Average mass296.163 Da
  • Monoisotopic mass295.032013 Da
  • ChemSpider ID28943046

More details:

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

1415719-55-9 [RN]
1-Benzyl-3-brom-5-isopropoxy-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-benzyl-3-bromo-5-(propan-2-yloxy)-1H-1,2,4-triazole
1-Benzyl-3-bromo-5-isopropoxy-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 3-bromo-5-(1-methylethoxy)-1-(phenylmethyl)- [ACD/Index Name]
1-Benzyl-3-bromo-5-isopropoxy-1H-1,2,4-triazole [ACD/IUPAC Name]
1-benzyl-3-bromo-5-propan-2-yloxy-1,2,4-triazole
1H-1,2,4-triazole, 3-bromo-5-(1-methylethoxy)-1-(phenylmethyl)
MFCD22689508 [MDL number]
VS-11986

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 411.9±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.9±26.8 °C
    Index of Refraction: 1.608
    Molar Refractivity: 71.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 221.54
    ACD/KOC (pH 5.5): 1661.42
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 221.55
    ACD/KOC (pH 7.4): 1661.46
    Polar Surface Area: 40 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 43.3±7.0 dyne/cm
    Molar Volume: 206.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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