ChemSpider 2D Image | 4-Nitro(~2~H_3_)-2-benzofuran-1,3-dione | C8D3NO5

4-Nitro(2H3)-2-benzofuran-1,3-dione

  • Molecular FormulaC8D3NO5
  • Average mass196.132 Da
  • Monoisotopic mass196.019958 Da
  • ChemSpider ID60498069

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Isobenzofurandione-4,5,6-d3, 7-nitro- [ACD/Index Name]
4-Nitro(2H3)-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
4-Nitro(2H3)-2-benzofuran-1,3-dione [ACD/IUPAC Name]
4-Nitro(2H3)-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]
1529776-53-1 [RN]
3-Nitrophthalic-d3 Anhydride

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

Density: 1.7±0.1 g/cm3
Boiling Point: 411.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 227.5±26.0 °C
Index of Refraction: 1.660
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 123.14
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 123.14
Polar Surface Area: 89 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 114.4±3.0 cm3

Click to predict properties on the Chemicalize site


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