ChemSpider 2D Image | 3-Nitro-4-[(2-oxo-2H-chromen-7-yl)oxy]benzonitrile | C16H8N2O5

3-Nitro-4-[(2-oxo-2H-chromen-7-yl)oxy]benzonitrile

  • Molecular FormulaC16H8N2O5
  • Average mass308.245 Da
  • Monoisotopic mass308.043335 Da
  • ChemSpider ID22562299

More details:

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

3-Nitro-4-[(2-oxo-2H-chromen-7-yl)oxy]benzonitril [German] [ACD/IUPAC Name]
3-Nitro-4-[(2-oxo-2H-chromen-7-yl)oxy]benzonitrile [ACD/IUPAC Name]
3-Nitro-4-[(2-oxo-2H-chromén-7-yl)oxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-nitro-4-[(2-oxo-2H-1-benzopyran-7-yl)oxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 493.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.5±28.7 °C
Index of Refraction: 1.685
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.07
ACD/KOC (pH 5.5): 920.41
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.07
ACD/KOC (pH 7.4): 920.41
Polar Surface Area: 105 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 203.6±5.0 cm3

Click to predict properties on the Chemicalize site


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