ChemSpider 2D Image | 4,7-Dimethoxy-6-nitro-1,3-benzodioxole-5-carbonitrile | C10H8N2O6

4,7-Dimethoxy-6-nitro-1,3-benzodioxole-5-carbonitrile

  • Molecular FormulaC10H8N2O6
  • Average mass252.180 Da
  • Monoisotopic mass252.038239 Da
  • ChemSpider ID22763864

More details:

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

1,3-Benzodioxole-5-carbonitrile, 4,7-dimethoxy-6-nitro- [ACD/Index Name]
4,7-Dimethoxy-6-nitro-1,3-benzodioxol-5-carbonitril [German] [ACD/IUPAC Name]
4,7-Dimethoxy-6-nitro-1,3-benzodioxole-5-carbonitrile [ACD/IUPAC Name]
4,7-Diméthoxy-6-nitro-1,3-benzodioxole-5-carbonitrile [French] [ACD/IUPAC Name]
4,7-dimethoxy-6-nitro-2H-benzo[d]1,3-dioxolane-5-carbonitrile
4,7-Dimethoxy-6-nitro-benzo[1,3]dioxole-5-carbonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.8±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 56.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.85
ACD/KOC (pH 5.5): 191.72
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.85
ACD/KOC (pH 7.4): 191.72
Polar Surface Area: 107 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 165.8±5.0 cm3

Click to predict properties on the Chemicalize site


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