ChemSpider 2D Image | 8-Chloro-1-(~2~H_5_)phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | C15H6D5ClN2O2

8-Chloro-1-(2H5)phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

  • Molecular FormulaC15H6D5ClN2O2
  • Average mass291.744 Da
  • Monoisotopic mass291.082275 Da
  • ChemSpider ID48058543
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-(phenyl-d5)- [ACD/Index Name]
8-Chlor-1-(2H5)phenyl-1H-1,5-benzodiazepin-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
8-Chloro-1-(2H5)phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione [ACD/IUPAC Name]
8-Chloro-1-(2H5)phényl-1H-1,5-benzodiazépine-2,4(3H,5H)-dione [French] [ACD/IUPAC Name]
129973-75-7 [RN]
7-chloro-5-(2,3,4,5,6-pentadeuteriophenyl)-1H-1,5-benzodiazepine-2,4-dione

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 601.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.5±3.0 kJ/mol
    Flash Point: 317.7±31.5 °C
    Index of Refraction: 1.632
    Molar Refractivity: 74.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.14
    ACD/KOC (pH 5.5): 461.98
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 26.05
    ACD/KOC (pH 7.4): 323.99
    Polar Surface Area: 49 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 210.2±3.0 cm3

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