ChemSpider 2D Image | 8-Chloro-6-[2-fluoro(3,5-~2~H_2_)phenyl]-1-methyl(3,4,4-~2~H_3_)-4H-imidazo[1,5-a][1,4]benzodiazepine | C18H8D5ClFN3

8-Chloro-6-[2-fluoro(3,5-2H2)phenyl]-1-methyl(3,4,4-2H3)-4H-imidazo[1,5-a][1,4]benzodiazepine

  • Molecular FormulaC18H8D5ClFN3
  • Average mass330.798 Da
  • Monoisotopic mass330.109589 Da
  • ChemSpider ID48061826
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-Imidazo[1,5-a][1,4]benzodiazepine-3,4,4-d3, 8-chloro-6-(2-fluorophenyl-3,5-d2)-1-methyl- [ACD/Index Name]
8-Chlor-6-[2-fluor(3,5-2H2)phenyl]-1-methyl(3,4,4-2H3)-4H-imidazo[1,5-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-[2-fluoro(3,5-2H2)phenyl]-1-methyl(3,4,4-2H3)-4H-imidazo[1,5-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-[2-fluoro(3,5-2H2)phényl]-1-méthyl(3,4,4-2H3)-4H-imidazo[1,5-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
395067-42-2 [RN]
8-chloro-3,4,4-trideuterio-6-(3,5-dideuterio-2-fluorophenyl)-1-methylimidazo[1,5-a][1,4]benzodiazepine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.9±55.0 °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: 254.3±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 89.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 58.05
ACD/KOC (pH 5.5): 439.87
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.57
ACD/KOC (pH 7.4): 1565.35
Polar Surface Area: 30 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 239.8±7.0 cm3

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