ChemSpider 2D Image | 9-[(2-Chlorobenzyl)oxy]-2,5,6,7-tetrahydro-3H-[1,2,4]triazolo[3,4-a][2]benzazepin-3-one | C18H16ClN3O2

9-[(2-Chlorobenzyl)oxy]-2,5,6,7-tetrahydro-3H-[1,2,4]triazolo[3,4-a][2]benzazepin-3-one

  • Molecular FormulaC18H16ClN3O2
  • Average mass341.792 Da
  • Monoisotopic mass341.093109 Da
  • ChemSpider ID30656756

More details:

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

3H-1,2,4-Triazolo[3,4-a][2]benzazepin-3-one, 9-[(2-chlorophenyl)methoxy]-2,5,6,7-tetrahydro- [ACD/Index Name]
9-[(2-Chlorbenzyl)oxy]-2,5,6,7-tetrahydro-3H-[1,2,4]triazolo[3,4-a][2]benzazepin-3-on [German] [ACD/IUPAC Name]
9-[(2-Chlorobenzyl)oxy]-2,5,6,7-tetrahydro-3H-[1,2,4]triazolo[3,4-a][2]benzazepin-3-one [ACD/IUPAC Name]
9-[(2-Chlorobenzyl)oxy]-2,5,6,7-tétrahydro-3H-[1,2,4]triazolo[3,4-a][2]benzazépin-3-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.14
ACD/KOC (pH 5.5): 1326.70
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 140.83
ACD/KOC (pH 7.4): 1152.30
Polar Surface Area: 54 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 241.6±7.0 cm3

Click to predict properties on the Chemicalize site


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