ChemSpider 2D Image | (4R)-8-Bromo-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid | C19H13BrFN3O2

(4R)-8-Bromo-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

  • Molecular FormulaC19H13BrFN3O2
  • Average mass414.228 Da
  • Monoisotopic mass413.017517 Da
  • ChemSpider ID88298097
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4R)-8-Brom-6-(2-fluorphenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carbonsäure [German] [ACD/IUPAC Name]
(4R)-8-Bromo-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid [ACD/IUPAC Name]
4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-bromo-6-(2-fluorophenyl)-4-methyl-, (4R)- [ACD/Index Name]
Acide (4R)-8-bromo-6-(2-fluorophényl)-4-méthyl-4H-imidazo[1,5-a][1,4]benzodiazépine-3-carboxylique [French] [ACD/IUPAC Name]
MIDD0301

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

Density: 1.6±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.708
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 86.97
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.78
Polar Surface Area: 67 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 253.7±7.0 cm3

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