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ChemSpider 2D Image | benzite | C6H3N3O6


  • Molecular FormulaC6H3N3O6
  • Average mass213.105 Da
  • Monoisotopic mass213.002185 Da
  • ChemSpider ID7156

More details:

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

202-752-7 [EINECS]
99-35-4 [RN]
Benzene, 1,3,5-trinitro- [ACD/Index Name]
benzite [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.0 g/cm3
Boiling Point: 315.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 53.4±0.0 kJ/mol
Flash Point: 164.1±0.0 °C
Index of Refraction: 1.655
Molar Refractivity: 45.9±0.0 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 110.14
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.00
ACD/KOC (pH 7.4): 110.14
Polar Surface Area: 137 Å2
Polarizability: 18.2±0.0 10-24cm3
Surface Tension: 80.0±0.0 dyne/cm
Molar Volume: 124.9±0.0 cm3

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