ChemSpider 2D Image | Methyl 2,6-difluoro-3-formylbenzoate | C9H6F2O3

Methyl 2,6-difluoro-3-formylbenzoate

  • Molecular FormulaC9H6F2O3
  • Average mass200.139 Da
  • Monoisotopic mass200.028503 Da
  • ChemSpider ID60597869

More details:

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

1993479-30-3 [RN]
2,6-Difluoro-3-formylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,6-difluoro-3-formyl-, methyl ester [ACD/Index Name]
Methyl 2,6-difluoro-3-formylbenzoate [ACD/IUPAC Name]
Methyl-2,6-difluor-3-formylbenzoat [German] [ACD/IUPAC Name]
95%
Methyl 2,6-Difluoro-5-formylbenzoate
MFCD30344687

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 298.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.9±3.0 kJ/mol
    Flash Point: 130.1±22.2 °C
    Index of Refraction: 1.519
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.57
    ACD/KOC (pH 5.5): 236.87
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.57
    ACD/KOC (pH 7.4): 236.87
    Polar Surface Area: 43 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 147.4±3.0 cm3

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