ChemSpider 2D Image | 3-Fluoro-5-{[7-(methylsulfanyl)-1-oxo-2,3-dihydro-1H-inden-4-yl]oxy}benzonitrile | C17H12FNO2S

3-Fluoro-5-{[7-(methylsulfanyl)-1-oxo-2,3-dihydro-1H-inden-4-yl]oxy}benzonitrile

  • Molecular FormulaC17H12FNO2S
  • Average mass313.346 Da
  • Monoisotopic mass313.057281 Da
  • ChemSpider ID62774338

More details:

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

3-Fluor-5-{[7-(methylsulfanyl)-1-oxo-2,3-dihydro-1H-inden-4-yl]oxy}benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-5-{[7-(methylsulfanyl)-1-oxo-2,3-dihydro-1H-inden-4-yl]oxy}benzonitrile [ACD/IUPAC Name]
3-Fluoro-5-{[7-(méthylsulfanyl)-1-oxo-2,3-dihydro-1H-indén-4-yl]oxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[2,3-dihydro-7-(methylthio)-1-oxo-1H-inden-4-yl]oxy]-5-fluoro- [ACD/Index Name]
1672665-69-8 [RN]
3-fluoro-5-((7-(methylthio)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile
CS-14965
MFCD29472365

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 447.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 224.2±28.7 °C
    Index of Refraction: 1.647
    Molar Refractivity: 82.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.35
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 850.27
    ACD/KOC (pH 5.5): 4350.87
    ACD/LogD (pH 7.4): 4.16
    ACD/BCF (pH 7.4): 850.27
    ACD/KOC (pH 7.4): 4350.87
    Polar Surface Area: 75 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 227.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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