ChemSpider 2D Image | 6,7-Difluoro-3-[(3-methylphenyl)sulfonyl]-4(1H)-quinolinone | C16H11F2NO3S

6,7-Difluoro-3-[(3-methylphenyl)sulfonyl]-4(1H)-quinolinone

  • Molecular FormulaC16H11F2NO3S
  • Average mass335.325 Da
  • Monoisotopic mass335.042755 Da
  • ChemSpider ID26456881

More details:

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

4(1H)-Quinolinone, 6,7-difluoro-3-[(3-methylphenyl)sulfonyl]- [ACD/Index Name]
6,7-Difluor-3-[(3-methylphenyl)sulfonyl]-4(1H)-chinolinon [German] [ACD/IUPAC Name]
6,7-Difluoro-3-[(3-méthylphényl)sulfonyl]-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
6,7-Difluoro-3-[(3-methylphenyl)sulfonyl]-4(1H)-quinolinone [ACD/IUPAC Name]
[1325306-46-4] [RN]
1325306-46-4 [RN]
6,7-difluoro-3-(3-methylbenzenesulfonyl)-1,4-dihydroquinolin-4-one
6,7-difluoro-3-(3-methylphenyl)sulfonyl-1H-quinolin-4-one
6,7-Difluoro-3-(toluene-3-sulfonyl)-1H-quinolin-4-one
6,7-difluoro-3-[(3-methylphenyl)sulfonyl]quinolin-4(1H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 515.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 265.5±30.1 °C
    Index of Refraction: 1.610
    Molar Refractivity: 80.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.50
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 304.93
    ACD/KOC (pH 5.5): 2088.32
    ACD/LogD (pH 7.4): 3.57
    ACD/BCF (pH 7.4): 304.93
    ACD/KOC (pH 7.4): 2088.32
    Polar Surface Area: 72 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 232.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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