ChemSpider 2D Image | [8-Chloro-6-(2-chlorophenyl)(4,4-~2~H_2_)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl](~2~H_2_)methanol | C17H8D4Cl2N4O

[8-Chloro-6-(2-chlorophenyl)(4,4-2H2)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl](2H2)methanol

  • Molecular FormulaC17H8D4Cl2N4O
  • Average mass363.234 Da
  • Monoisotopic mass362.063934 Da
  • ChemSpider ID78057687

  • Non-standard isotope - Non-standard isotope

More details:

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

[8-Chlor-6-(2-chlorphenyl)(4,4-2H2)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl](2H2)methanol [German] [ACD/IUPAC Name]
[8-Chloro-6-(2-chlorophenyl)(4,4-2H2)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl](2H2)methanol [ACD/IUPAC Name]
[8-Chloro-6-(2-chlorophényl)(4,4-2H2)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-1-yl](2H2)méthanol [French] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4,4-d2-1-methan-d2-ol, 8-chloro-6-(2-chlorophenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 581.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.06
ACD/KOC (pH 5.5): 416.43
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.06
ACD/KOC (pH 7.4): 416.50
Polar Surface Area: 63 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 233.0±7.0 cm3

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