Found 4484 results

Search term: MF = 'C_{12}H_{14}BrN_{3}'
ChemSpider 2D Image | 3-bromo-5-methyl-1-(3-phenylpropyl)-1,2,4-triazole | C12H14BrN3

3-bromo-5-methyl-1-(3-phenylpropyl)-1,2,4-triazole

  • Molecular FormulaC12H14BrN3
  • Average mass280.164 Da
  • Monoisotopic mass279.037109 Da
  • ChemSpider ID28943612

More details:

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

1374407-96-1 [RN]
1H-1,2,4-Triazole, 3-bromo-5-methyl-1-(3-phenylpropyl)- [ACD/Index Name]
3-Brom-5-methyl-1-(3-phenylpropyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Bromo-5-méthyl-1-(3-phénylpropyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-bromo-5-methyl-1-(3-phenylpropyl)-1,2,4-triazole
3-Bromo-5-methyl-1-(3-phenylpropyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
BBL033256
MCULE-4665809729
MFCD22201627 [MDL number]
MolPort-021-743-153
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 421.6±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 208.8±26.8 °C
    Index of Refraction: 1.617
    Molar Refractivity: 70.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 118.08
    ACD/KOC (pH 5.5): 1058.95
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 118.10
    ACD/KOC (pH 7.4): 1059.04
    Polar Surface Area: 31 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 200.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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