ChemSpider 2D Image | 8-Chloro-6-[2-fluoro(3,4,5-~2~H_3_)phenyl]-1-(~2~H_3_)methyl(3-~2~H)-4H-imidazo[1,5-a][1,4]benzodiazepine | C18H6D7ClFN3

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

  • Molecular FormulaC18H6D7ClFN3
  • Average mass332.810 Da
  • Monoisotopic mass332.122131 Da
  • ChemSpider ID24533650

  • 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-d, 8-chloro-6-(2-fluorophenyl-3,4,5-d3)-1-(methyl-d3)- [ACD/Index Name]
8-Chlor-6-[2-fluor(3,4,5-2H3)phenyl]-1-(2H3)methyl(3-2H)-4H-imidazo[1,5-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-[2-fluoro(3,4,5-2H3)phenyl]-1-(2H3)methyl(3-2H)-4H-imidazo[1,5-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-[2-fluoro(3,4,5-2H3)phényl]-1-(2H3)méthyl(3-2H)-4H-imidazo[1,5-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
1219805-42-1 [RN]
8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine [ACD/IUPAC Name]
Midazolam-d7 (1-methyl-d3-4H-imidazo-3-d1; 2-fluorophenyl-3,4,5-d3)

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

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

Click to predict properties on the Chemicalize site


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