ChemSpider 2D Image | MFCD00078900 | C17H8D5ClN4

MFCD00078900

  • Molecular FormulaC17H8D5ClN4
  • Average mass313.796 Da
  • Monoisotopic mass313.114258 Da
  • ChemSpider ID24022404

  • Non-standard isotope - Non-standard isotope

More details:

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

125229-61-0 [RN]
200-659-6 [EINECS]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-(phenyl-d5)- [ACD/Index Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-(phenyl-d5)-
8-Chlor-1-methyl-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Chloro-1-methyl-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Chloro-1-méthyl-6-(2H5)phényl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]
8-Chloro-1-methyl-6-(phenyl-d5)-4H-(1,2,4)triazolo[4,3-a][1,4]benzodiazepine
Alprazolam-d5
MFCD00078900
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 509.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.6±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.24
ACD/KOC (pH 5.5): 638.18
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.35
ACD/KOC (pH 7.4): 639.39
Polar Surface Area: 43 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 225.6±7.0 cm3

Click to predict properties on the Chemicalize site


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