ChemSpider 2D Image | 5,6-Diethyl-3-(phosphonooxy)-1,2,3-benzotriazin-4(3H)-one | C11H14N3O5P

5,6-Diethyl-3-(phosphonooxy)-1,2,3-benzotriazin-4(3H)-one

  • Molecular FormulaC11H14N3O5P
  • Average mass299.220 Da
  • Monoisotopic mass299.067108 Da
  • ChemSpider ID24541490

More details:

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

1,2,3-Benzotriazin-4(3H)-one, 5,6-diethyl-3-(phosphonooxy)- [ACD/Index Name]
5,6-Diethyl-3-(phosphonooxy)-1,2,3-benzotriazin-4(3H)-on [German] [ACD/IUPAC Name]
5,6-Diethyl-3-(phosphonooxy)-1,2,3-benzotriazin-4(3H)-one [ACD/IUPAC Name]
5,6-Diéthyl-3-(phosphonooxy)-1,2,3-benzotriazin-4(3H)-one [French] [ACD/IUPAC Name]
5,6-diethyl-4-oxobenzo[d]1,2,3-triazin-3-yl dihydrogen phosphate
DIETHYL-(4-OXO-3H-1,2,3-BENZOTRIAZIN-3-YL)PHOSPHATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 514.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 69.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 187.3±7.0 cm3

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