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Search term: UHAFHPNUDXUFCG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzonitrile | C19H10N2O2

3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzonitrile

  • Molecular FormulaC19H10N2O2
  • Average mass298.295 Da
  • Monoisotopic mass298.074219 Da
  • ChemSpider ID21137607

More details:






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

3-(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)benzonitril [German] [ACD/IUPAC Name]
3-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)benzonitrile [French] [ACD/IUPAC Name]
3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzonitrile [ACD/IUPAC Name]
Benzonitrile, 3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 560.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±27.9 °C
Index of Refraction: 1.754
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.96
ACD/KOC (pH 5.5): 919.64
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.96
ACD/KOC (pH 7.4): 919.66
Polar Surface Area: 61 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 207.5±5.0 cm3

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