ChemSpider 2D Image | 6-(3,4-Dimethoxyphenyl)-2-[3-(trifluoromethoxy)benzyl]-3(2H)-pyridazinone | C20H17F3N2O4

6-(3,4-Dimethoxyphenyl)-2-[3-(trifluoromethoxy)benzyl]-3(2H)-pyridazinone

  • Molecular FormulaC20H17F3N2O4
  • Average mass406.355 Da
  • Monoisotopic mass406.114044 Da
  • ChemSpider ID26045454

More details:

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

3(2H)-Pyridazinone, 6-(3,4-dimethoxyphenyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
6-(3,4-Dimethoxyphenyl)-2-[3-(trifluormethoxy)benzyl]-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-(3,4-Dimethoxyphenyl)-2-[3-(trifluoromethoxy)benzyl]-3(2H)-pyridazinone [ACD/IUPAC Name]
6-(3,4-Diméthoxyphényl)-2-[3-(trifluorométhoxy)benzyl]-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
1219573-66-6 [RN]
6-(3,4-Dimethoxy-phenyl)-2-(3-trifluoromethoxy-benzyl)-2H-pyridazin-3-one
6-(3,4-dimethoxyphenyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
6-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethoxy)benzyl]pyridazin-3(2H)-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 482.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 245.9±31.5 °C
    Index of Refraction: 1.544
    Molar Refractivity: 98.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.04
    ACD/KOC (pH 5.5): 993.71
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.04
    ACD/KOC (pH 7.4): 993.71
    Polar Surface Area: 60 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 38.3±7.0 dyne/cm
    Molar Volume: 313.4±7.0 cm3

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