ChemSpider 2D Image | 4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazole | C15H12N4O2

4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazole

  • Molecular FormulaC15H12N4O2
  • Average mass280.281 Da
  • Monoisotopic mass280.096039 Da
  • ChemSpider ID24794054

More details:

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

1212061-06-7 [RN]
4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Benzyl-3-(4-nitrophényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-(4-nitrophenyl)-4-(phenylmethyl)- [ACD/Index Name]
4-benzyl-3-(4-nitrophenyl)-1,2,4-triazole
4-Benzyl-3-(4-nitro-phenyl)-4H-[1,2,4]triazole
4H-1,2,4-triazole, 3-(4-nitrophenyl)-4-(phenylmethyl)
MFCD13704140 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 511.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±3.0 kJ/mol
    Flash Point: 262.8±32.9 °C
    Index of Refraction: 1.667
    Molar Refractivity: 79.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.32
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 100.55
    ACD/KOC (pH 5.5): 943.87
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 100.56
    ACD/KOC (pH 7.4): 943.97
    Polar Surface Area: 77 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 56.9±7.0 dyne/cm
    Molar Volume: 214.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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