ChemSpider 2D Image | 2,2',2''-[Benzene-1,3,5-triyltris(oxy)]tris(6-chloropyrazine) | C18H9Cl3N6O3

2,2',2''-[Benzene-1,3,5-triyltris(oxy)]tris(6-chloropyrazine)

  • Molecular FormulaC18H9Cl3N6O3
  • Average mass463.661 Da
  • Monoisotopic mass461.980164 Da
  • ChemSpider ID21119665

More details:

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

2,2',2''-[Benzene-1,3,5-triyltris(oxy)]tris(6-chloropyrazine) [ACD/IUPAC Name]
2,2',2''-[Benzène-1,3,5-triyltris(oxy)]tris(6-chloropyrazine) [French] [ACD/IUPAC Name]
2,2',2''-[Benzol-1,3,5-triyltris(oxy)]tris(6-chlorpyrazin) [German] [ACD/IUPAC Name]
Pyrazine, 2,2',2''-[benzene-1,3,5-triyltris(oxy)]tris[6-chloro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.30
ACD/KOC (pH 5.5): 3153.35
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.30
ACD/KOC (pH 7.4): 3153.35
Polar Surface Area: 105 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

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