ChemSpider 2D Image | 3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-fluorobenzonitrile | C16H9FN2O2

3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-fluorobenzonitrile

  • Molecular FormulaC16H9FN2O2
  • Average mass280.253 Da
  • Monoisotopic mass280.064819 Da
  • ChemSpider ID22107457

More details:

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

3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-fluorbenzonitril [German] [ACD/IUPAC Name]
3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-fluorobenzonitrile [ACD/IUPAC Name]
3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]-4-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-4-fluoro- [ACD/Index Name]
1016706-05-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 459.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±25.9 °C
Index of Refraction: 1.661
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.65
ACD/KOC (pH 5.5): 641.68
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.65
ACD/KOC (pH 7.4): 641.68
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 195.1±5.0 cm3

Click to predict properties on the Chemicalize site


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