ChemSpider 2D Image | 7,8-Dichloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H12Cl2N2O

7,8-Dichloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H12Cl2N2O
  • Average mass319.185 Da
  • Monoisotopic mass318.032654 Da
  • ChemSpider ID23222042

More details:

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

2H-1,4-Benzodiazepin-2-one, 7,8-dichloro-1,3-dihydro-1-methyl-5-phenyl- [ACD/Index Name]
7,8-Dichlor-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7,8-Dichloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7,8-Dichloro-1-méthyl-5-phényl-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]
7,8-Dichloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Ro-22-6762

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.26
ACD/KOC (pH 5.5): 1712.18
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.79
ACD/KOC (pH 7.4): 1716.09
Polar Surface Area: 33 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 235.2±7.0 cm3

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