ChemSpider 2D Image | Methyl (3,5-difluorophenyl)(oxo)acetate | C9H6F2O3

Methyl (3,5-difluorophenyl)(oxo)acetate

  • Molecular FormulaC9H6F2O3
  • Average mass200.139 Da
  • Monoisotopic mass200.028503 Da
  • ChemSpider ID35330616

More details:

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

(3,5-Difluorophényl)(oxo)acétate de méthyle [French] [ACD/IUPAC Name]
259739-92-9 [RN]
Benzeneacetic acid, 3,5-difluoro-α-oxo-, methyl ester [ACD/Index Name]
Methyl (3,5-difluorophenyl)(oxo)acetate [ACD/IUPAC Name]
Methyl 2-(3,5-difluorophenyl)-2-oxoacetate
Methyl-(3,5-difluorphenyl)(oxo)acetat [German] [ACD/IUPAC Name]
atoms 14 bonds 14
Methyl 3,5-difluorobenzoylformate
MFCD11617614

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 260.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.8±3.0 kJ/mol
    Flash Point: 107.9±19.4 °C
    Index of Refraction: 1.483
    Molar Refractivity: 42.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.37
    ACD/KOC (pH 5.5): 222.69
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.37
    ACD/KOC (pH 7.4): 222.69
    Polar Surface Area: 43 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 38.1±3.0 dyne/cm
    Molar Volume: 149.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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