ChemSpider 2D Image | Ethyl 6-(difluoromethyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate | C12H12F2O4

Ethyl 6-(difluoromethyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID35501850

More details:

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

1706458-67-4 [RN]
3-Benzofurancarboxylic acid, 6-(difluoromethyl)-4,5,6,7-tetrahydro-4-oxo-, ethyl ester [ACD/Index Name]
6-(Difluorométhyl)-4-oxo-4,5,6,7-tétrahydro-1-benzofurane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(difluoromethyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-(difluormethyl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]
6-Difluoromethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-3-carboxylic acid ethyl ester
Ethyl 6-(difluoromethyl)-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate
ethyl 6-(difluoromethyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
MFCD28024388

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 382.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.4±27.9 °C
    Index of Refraction: 1.480
    Molar Refractivity: 56.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.02
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.50
    ACD/KOC (pH 5.5): 492.28
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.50
    ACD/KOC (pH 7.4): 492.28
    Polar Surface Area: 57 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 36.4±3.0 dyne/cm
    Molar Volume: 199.9±3.0 cm3

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