ChemSpider 2D Image | 5,7-Dinitro-1,3-dihydro-2,1,3-benzoxadiazole-4,6-diamine 3-oxide | C6H6N6O6

5,7-Dinitro-1,3-dihydro-2,1,3-benzoxadiazole-4,6-diamine 3-oxide

  • Molecular FormulaC6H6N6O6
  • Average mass258.148 Da
  • Monoisotopic mass258.034882 Da
  • ChemSpider ID111123846

More details:

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

2,1,3-Benzoxadiazole-4,6-diamine, 1,3-dihydro-5,7-dinitro-, 3-oxide [ACD/Index Name]
3-Oxyde de 5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazole-4,6-diamine [French] [ACD/IUPAC Name]
5,7-Dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4,6-diamin-3-oxid [German] [ACD/IUPAC Name]
5,7-Dinitro-1,3-dihydro-2,1,3-benzoxadiazole-4,6-diamine 3-oxide [ACD/IUPAC Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 610.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 2.050
Molar Refractivity: 49.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 200.0±7.0 dyne/cm
Molar Volume: 95.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement