ChemSpider 2D Image | 2-Benzyl-8-chlorochromeno[3,4-d][1,2,3]triazol-4(2H)-one | C16H10ClN3O2

2-Benzyl-8-chlorochromeno[3,4-d][1,2,3]triazol-4(2H)-one

  • Molecular FormulaC16H10ClN3O2
  • Average mass311.723 Da
  • Monoisotopic mass311.046143 Da
  • ChemSpider ID21152026

More details:

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

[1]Benzopyrano[3,4-d]-1,2,3-triazol-4(2H)-one, 8-chloro-2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-8-chlorchromeno[3,4-d][1,2,3]triazol-4(2H)-on [German] [ACD/IUPAC Name]
2-Benzyl-8-chlorochromeno[3,4-d][1,2,3]triazol-4(2H)-one [ACD/IUPAC Name]
2-Benzyl-8-chlorochroméno[3,4-d][1,2,3]triazol-4(2H)-one [French] [ACD/IUPAC 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: 552.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.9±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 807.90
ACD/KOC (pH 5.5): 4194.56
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 807.90
ACD/KOC (pH 7.4): 4194.56
Polar Surface Area: 57 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 209.4±7.0 cm3

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