ChemSpider 2D Image | 1-Nitro-3,5-dinitrosobenzene | C6H3N3O4

1-Nitro-3,5-dinitrosobenzene

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID67154741

More details:

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

1-Nitro-3,5-dinitrosobenzene [ACD/IUPAC Name]
1-Nitro-3,5-dinitrosobenzène [French] [ACD/IUPAC Name]
1-Nitro-3,5-dinitrosobenzol [German] [ACD/IUPAC Name]
Benzene, 1-nitro-3,5-dinitroso- [ACD/Index Name]
3,5-dinitroso-1-nitrobenzene

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

Density: 1.6±0.1 g/cm3
Boiling Point: 386.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 187.3±26.5 °C
Index of Refraction: 1.671
Molar Refractivity: 41.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 144.42
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 144.42
Polar Surface Area: 105 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 78.6±7.0 dyne/cm
Molar Volume: 110.0±7.0 cm3

Click to predict properties on the Chemicalize site


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