ChemSpider 2D Image | (2Z)-2-(3-Fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylic acid | C16H9FO4

(2Z)-2-(3-Fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylic acid

  • Molecular FormulaC16H9FO4
  • Average mass284.239 Da
  • Monoisotopic mass284.048492 Da
  • ChemSpider ID35485278

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3-Fluorbenzyliden)-3-oxo-2,3-dihydro-1-benzofuran-5-carbonsäure [German] [ACD/IUPAC Name]
(2Z)-2-(3-Fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylic acid [ACD/IUPAC Name]
5-Benzofurancarboxylic acid, 2-[(3-fluorophenyl)methylene]-2,3-dihydro-3-oxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-(3-fluorobenzylidène)-3-oxo-2,3-dihydro-1-benzofurane-5-carboxylique [French] [ACD/IUPAC Name]
(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylic acid
(Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylic acid
1387577-94-7 [RN]
2-(3-Fluoro-benzylidene)-3-oxo-2,3-dihydro-benzofuran-5-carboxylic acid
MFCD22378290

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 503.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 258.5±30.1 °C
    Index of Refraction: 1.693
    Molar Refractivity: 73.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 5.63
    ACD/KOC (pH 5.5): 41.08
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.77
    Polar Surface Area: 64 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 66.2±3.0 dyne/cm
    Molar Volume: 190.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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