ChemSpider 2D Image | 7-Bromo-5-[2-chloro(~2~H_4_)phenyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C15H6D4BrClN2O

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

  • Molecular FormulaC15H6D4BrClN2O
  • Average mass353.634 Da
  • Monoisotopic mass351.991608 Da
  • ChemSpider ID62850307

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

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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