ChemSpider 2D Image | 3-(4-Bromophenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine | C15H17BrN2

3-(4-Bromophenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine

  • Molecular FormulaC15H17BrN2
  • Average mass305.213 Da
  • Monoisotopic mass304.057495 Da
  • ChemSpider ID22498196

More details:

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

3-(4-Bromophenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepine [ACD/IUPAC Name]
3-(4-Bromophényl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazépine [French] [ACD/IUPAC Name]
3-(4-Bromphenyl)-5,5a,6,7,8,9-hexahydro-4H-1,2-benzodiazepin [German] [ACD/IUPAC Name]
4H-1,2-Benzodiazepine, 3-(4-bromophenyl)-5,5a,6,7,8,9-hexahydro- [ACD/Index Name]
1081145-55-2 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 377.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.1±3.0 kJ/mol
    Flash Point: 182.4±25.7 °C
    Index of Refraction: 1.660
    Molar Refractivity: 77.7±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.33
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 3.77
    ACD/KOC (pH 5.5): 24.88
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 26.15
    ACD/KOC (pH 7.4): 172.74
    Polar Surface Area: 25 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 210.5±7.0 cm3

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