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ChemSpider 2D Image | [8-Chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol | C17H12ClFN4O


  • Molecular FormulaC17H12ClFN4O
  • Average mass342.755 Da
  • Monoisotopic mass342.068359 Da
  • ChemSpider ID14641182

More details:

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

[8-Chlor-6-(2-fluorphenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol [German] [ACD/IUPAC Name]
[8-Chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol [ACD/IUPAC Name]
[8-Chloro-6-(2-fluorophényl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-1-yl]méthanol [French] [ACD/IUPAC Name]
37115-46-1 [RN]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-(2-fluorophenyl)- [ACD/Index Name]
α-hydroxy Flualprazolam

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

Density: 1.5±0.0 g/cm3
Boiling Point: 556.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 88.2±0.0 kJ/mol
Flash Point: 290.4±0.0 °C
Index of Refraction: 1.716
Molar Refractivity: 89.1±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.18
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.19
Polar Surface Area: 63 Å2
Polarizability: 35.3±0.0 10-24cm3
Surface Tension: 55.9±0.0 dyne/cm
Molar Volume: 226.6±0.0 cm3

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