ChemSpider 2D Image | MFCD00673260 | C17H8D5ClN4O

MFCD00673260

  • Molecular FormulaC17H8D5ClN4O
  • Average mass329.795 Da
  • Monoisotopic mass329.109161 Da
  • ChemSpider ID26457988

  • Non-standard isotope - Non-standard isotope

More details:

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

[8-Chlor-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol [German] [ACD/IUPAC Name]
[8-Chloro-6-(2H5)phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol [ACD/IUPAC Name]
[8-Chloro-6-(2H5)phényl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-1-yl]méthanol [French] [ACD/IUPAC Name]
136765-24-7 [RN]
200-659-6 [EINECS]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-(phenyl-d5)- [ACD/Index Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-(phenyl-d5)-
MFCD00673260
[8-chloro-6-(2,3,4,5,6-pentadeuteriophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-(phenyl-d5)- (9CI)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 556.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.1±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.98
ACD/KOC (pH 5.5): 252.97
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.98
ACD/KOC (pH 7.4): 253.02
Polar Surface Area: 63 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 223.7±7.0 cm3

Click to predict properties on the Chemicalize site


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