Found 1 result

Search term: MF = 'C_{16}H_{11}D_{2}ClN_{2}O'

ChemSpider 2D Image | 7-Chloro-1-methyl-5-phenyl(3,3-~2~H_2_)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | C16H11D2ClN2O

7-Chloro-1-methyl-5-phenyl(3,3-2H2)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

  • Molecular FormulaC16H11D2ClN2O
  • Average mass286.753 Da
  • Monoisotopic mass286.084198 Da
  • ChemSpider ID9208646
  • 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-3-d, 7-chloro-1,3-dihydro-3-d-1-methyl-5-phenyl- [ACD/Index Name]
7-Chlor-1-methyl-5-phenyl(3,3-2H2)-1,3-dihydro-2H-1,4-benzodiazepin-2-on [German] [ACD/IUPAC Name]
7-Chloro-1-methyl-5-phenyl(3,3-2H2)-1,3-dihydro-2H-1,4-benzodiazepin-2-one [ACD/IUPAC Name]
7-Chloro-1-méthyl-5-phényl(3,3-2H2)-1,3-dihydro-2H-1,4-benzodiazépin-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 80.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.31
ACD/KOC (pH 5.5): 913.21
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.06
ACD/KOC (pH 7.4): 920.27
Polar Surface Area: 33 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 225.9±7.0 cm3

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