ChemSpider 2D Image | Methyl (5-fluoro-6-methyl-1-benzofuran-3-yl)acetate | C12H11FO3

Methyl (5-fluoro-6-methyl-1-benzofuran-3-yl)acetate

  • Molecular FormulaC12H11FO3
  • Average mass222.212 Da
  • Monoisotopic mass222.069229 Da
  • ChemSpider ID35487657

More details:

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

(5-Fluoro-6-méthyl-1-benzofuran-3-yl)acétate de méthyle [French] [ACD/IUPAC Name]
1420792-53-5 [RN]
3-Benzofuranacetic acid, 5-fluoro-6-methyl-, methyl ester [ACD/Index Name]
Methyl (5-fluoro-6-methyl-1-benzofuran-3-yl)acetate [ACD/IUPAC Name]
methyl 2-(5-fluoro-6-methyl-1-benzofuran-3-yl)acetate
Methyl-(5-fluor-6-methyl-1-benzofuran-3-yl)acetat [German] [ACD/IUPAC Name]
(5-Fluoro-6-methyl-benzofuran-3-yl)-acetic acid methyl ester
Methyl 2-(5-fluoro-6-methylbenzofuran-3-yl)acetate
MFCD22688771

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 295.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 132.7±25.9 °C
    Index of Refraction: 1.549
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 74.43
    ACD/KOC (pH 5.5): 761.02
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 74.43
    ACD/KOC (pH 7.4): 761.02
    Polar Surface Area: 39 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 179.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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