ChemSpider 2D Image | 4-{[3-(2-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]methyl}benzonitrile | C18H12FN3O

4-{[3-(2-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]methyl}benzonitrile

  • Molecular FormulaC18H12FN3O
  • Average mass305.306 Da
  • Monoisotopic mass305.096436 Da
  • ChemSpider ID26038989

More details:

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

4-{[3-(2-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]methyl}benzonitrile [ACD/IUPAC Name]
4-{[3-(2-Fluorophényl)-6-oxo-1(6H)-pyridazinyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
4-{[3-(2-Fluorphenyl)-6-oxo-1(6H)-pyridazinyl]methyl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]methyl]- [ACD/Index Name]
1232804-46-4 [RN]
4-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]benzonitrile
4-[3-(2-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-ylmethyl]-benzonitrile
4-{[3-(2-fluorophenyl)-6-oxopyridazin-1(6H)-yl]methyl}benzonitrile
4-{[3-(2-FLUOROPHENYL)-6-OXOPYRIDAZIN-1-YL]METHYL}BENZONITRILE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 493.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.0±3.0 kJ/mol
    Flash Point: 252.0±31.5 °C
    Index of Refraction: 1.619
    Molar Refractivity: 87.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.01
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 46.28
    ACD/KOC (pH 5.5): 541.65
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 46.28
    ACD/KOC (pH 7.4): 541.65
    Polar Surface Area: 56 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 46.8±7.0 dyne/cm
    Molar Volume: 249.3±7.0 cm3

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