ChemSpider 2D Image | MFCD00798476 | C16H6D5ClN4

MFCD00798476

  • Molecular FormulaC16H6D5ClN4
  • Average mass299.769 Da
  • Monoisotopic mass299.098602 Da
  • ChemSpider ID27472398

  • Non-standard isotope - Non-standard isotope

More details:

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

170082-16-3 [RN]
200-659-6 [EINECS]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-(phenyl-d5)- [ACD/Index Name]
8-Chlor-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-6-(2H5)phényl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
MFCD00798476
8-chloro-6-(2,3,4,5,6-pentadeuteriophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
ESTAZOLAM-D5
Estazolam-D5 0.1 mg/ml in Methanol
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 489.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.1±31.5 °C
Index of Refraction: 1.728
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.45
ACD/KOC (pH 5.5): 542.97
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.49
ACD/KOC (pH 7.4): 543.35
Polar Surface Area: 43 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 210.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement