ChemSpider 2D Image | 7-Fluoro-3-(methylsulfanyl)-4-nitroindoline | C9H9FN2O2S

7-Fluoro-3-(methylsulfanyl)-4-nitroindoline

  • Molecular FormulaC9H9FN2O2S
  • Average mass228.243 Da
  • Monoisotopic mass228.036880 Da
  • ChemSpider ID57578164

More details:

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

1H-Indole, 7-fluoro-2,3-dihydro-3-(methylthio)-4-nitro- [ACD/Index Name]
7-Fluor-3-(methylsulfanyl)-4-nitroindolin [German] [ACD/IUPAC Name]
7-Fluoro-3-(methylsulfanyl)-4-nitroindoline [ACD/IUPAC Name]
7-Fluoro-3-(méthylsulfanyl)-4-nitroindoline [French] [ACD/IUPAC Name]
548458-22-6 [RN]
7-fluoro-3-(methylthio)-4-nitroindoline
MFCD27976521

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 311.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.2±3.0 kJ/mol
    Flash Point: 141.9±27.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 56.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 50.29
    ACD/KOC (pH 5.5): 574.82
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 50.29
    ACD/KOC (pH 7.4): 574.83
    Polar Surface Area: 83 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 159.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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