ChemSpider 2D Image | 7-Bromo-5-[2-chloro(~2~H_4_)phenyl](9-~2~H)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C15H5D5BrClN2O

7-Bromo-5-[2-chloro(2H4)phenyl](9-2H)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC15H5D5BrClN2O
  • Average mass354.641 Da
  • Monoisotopic mass352.997864 Da
  • ChemSpider ID48062470

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1,4-Benzodiazepin-2-one-9-d, 7-bromo-5-(6-chlorophenyl-2,3,4,5-d4)-1,3-dihydro- [ACD/Index Name]
7-Brom-5-[2-chlor(2H4)phenyl](9-2H)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Bromo-5-[2-chloro(2H4)phenyl](9-2H)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Bromo-5-[2-chloro(2H4)phényl](9-2H)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
1184980-42-4 [RN]
1794978-53-2 [RN]
7-bromo-5-(2-chloro-3,4,5,6-tetradeuteriophenyl)-9-deuterio-1,3-dihydro-1,4-benzodiazepin-2-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 493.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 251.9±28.7 °C
    Index of Refraction: 1.692
    Molar Refractivity: 83.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 267.78
    ACD/KOC (pH 5.5): 1902.62
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 267.89
    ACD/KOC (pH 7.4): 1903.38
    Polar Surface Area: 41 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 53.3±7.0 dyne/cm
    Molar Volume: 217.1±7.0 cm3

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