ChemSpider 2D Image | 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-2H-chromen-2-one | C18H10FNO3S

3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-2H-chromen-2-one

  • Molecular FormulaC18H10FNO3S
  • Average mass339.340 Da
  • Monoisotopic mass339.036530 Da
  • ChemSpider ID22487320

More details:

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

2H-1-Benzopyran-2-one, 3-[2-(4-fluorophenyl)-4-thiazolyl]-7-hydroxy- [ACD/Index Name]
3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-[2-(4-Fluorophényl)-1,3-thiazol-4-yl]-7-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[2-(4-Fluorphenyl)-1,3-thiazol-4-yl]-7-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
1081137-23-6 [RN]
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-7-hydroxychromen-2-one

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 592.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±3.0 kJ/mol
    Flash Point: 312.2±32.9 °C
    Index of Refraction: 1.683
    Molar Refractivity: 87.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.22
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 598.52
    ACD/KOC (pH 5.5): 3364.92
    ACD/LogD (pH 7.4): 3.55
    ACD/BCF (pH 7.4): 235.05
    ACD/KOC (pH 7.4): 1321.47
    Polar Surface Area: 88 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 64.2±3.0 dyne/cm
    Molar Volume: 229.9±3.0 cm3

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