ChemSpider 2D Image | 8-Chloro-6-(2-chlorophenyl)-1-(~2~H_3_)methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | C17H9D3Cl2N4

8-Chloro-6-(2-chlorophenyl)-1-(2H3)methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

  • Molecular FormulaC17H9D3Cl2N4
  • Average mass346.228 Da
  • Monoisotopic mass345.062744 Da
  • ChemSpider ID48063305

  • Non-standard isotope - Non-standard isotope

More details:

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

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(methyl-d3)- [ACD/Index Name]
8-Chlor-6-(2-chlorphenyl)-1-(2H3)methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophenyl)-1-(2H3)methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophényl)-1-(2H3)méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
112393-65-4 [RN]
8-chloro-6-(2-chlorophenyl)-1-(trideuteriomethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 535.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.2±3.0 kJ/mol
    Flash Point: 277.7±32.9 °C
    Index of Refraction: 1.721
    Molar Refractivity: 92.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.48
    ACD/KOC (pH 5.5): 1028.79
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.66
    ACD/KOC (pH 7.4): 1030.43
    Polar Surface Area: 43 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 234.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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