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

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

  • Molecular FormulaC16H9FN2O2
  • Average mass280.253 Da
  • Monoisotopic mass280.064819 Da
  • ChemSpider ID19153087

More details:

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

368426-72-6 [RN]
4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorbenzonitril [German] [ACD/IUPAC Name]
4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorobenzonitrile [ACD/IUPAC Name]
4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-fluorobenzonitrile
Benzonitrile, 4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-fluoro- [ACD/Index Name]
4-((1,3-dioxoisoindolin-2-yl)methyl)-2-fluorobenzonitrile
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-2-fl
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzonitrile
MFCD11100397

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

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 460.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 232.3±27.3 °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: 2.62
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 53.11
    ACD/KOC (pH 5.5): 597.75
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 53.11
    ACD/KOC (pH 7.4): 597.75
    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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