ChemSpider 2D Image | 6-Phenyl-3-[3-(trifluoromethyl)benzyl]-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione | C18H13F3N4O2

6-Phenyl-3-[3-(trifluoromethyl)benzyl]-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

  • Molecular FormulaC18H13F3N4O2
  • Average mass374.317 Da
  • Monoisotopic mass374.099060 Da
  • ChemSpider ID23495444

More details:






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

3H-Imidazo[1,5-b][1,2,4]triazole-2,5-dione, 6,7-dihydro-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
6-Phenyl-3-[3-(trifluormethyl)benzyl]-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazol-2,5-dion [German] [ACD/IUPAC Name]
6-Phenyl-3-[3-(trifluoromethyl)benzyl]-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione [ACD/IUPAC Name]
6-Phényl-3-[3-(trifluorométhyl)benzyl]-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione [French] [ACD/IUPAC Name]
1144461-90-4 [RN]
6-Phenyl-3-(3-trifluoromethyl-benzyl)-6,7-dihydro-imidazo[1,5-b][1,2,4]triazole-2,5-dione
6-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 438.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 219.1±31.5 °C
    Index of Refraction: 1.645
    Molar Refractivity: 92.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.12
    ACD/KOC (pH 5.5): 265.77
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.12
    ACD/KOC (pH 7.4): 265.78
    Polar Surface Area: 56 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 253.9±7.0 cm3

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