ChemSpider 2D Image | [(6-Fluoro-2-phenyl-4-quinolinyl)sulfanyl]acetic acid | C17H12FNO2S

[(6-Fluoro-2-phenyl-4-quinolinyl)sulfanyl]acetic acid

  • Molecular FormulaC17H12FNO2S
  • Average mass313.346 Da
  • Monoisotopic mass313.057281 Da
  • ChemSpider ID27326410

More details:

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

[(6-Fluor-2-phenyl-4-chinolinyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
[(6-Fluoro-2-phenyl-4-quinolinyl)sulfanyl]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[(6-fluoro-2-phenyl-4-quinolinyl)thio]- [ACD/Index Name]
Acide [(6-fluoro-2-phényl-4-quinoléinyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(6-Fluoro-2-phenyl-quinolin-4-ylsulfanyl)-acetic acid
[(6-fluoro-2-phenylquinolin-4-yl)sulfanyl]acetic acid
1324096-05-0 [RN]
2-((6-fluoro-2-phenylquinolin-4-yl)thio)acetic acid
2-(6-fluoro-2-phenylquinolin-4-yl)sulfanylacetic acid
2-[(6-FLUORO-2-PHENYLQUINOLIN-4-YL)SULFANYL]ACETIC ACID
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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: 528.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 273.4±30.1 °C
    Index of Refraction: 1.699
    Molar Refractivity: 85.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 2.64
    ACD/KOC (pH 5.5): 15.21
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 68.0±5.0 dyne/cm
    Molar Volume: 222.3±5.0 cm3

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