ChemSpider 2D Image | 3,5-Difluoro-4-(oxan-4-yloxy)benzoic acid | C12H12F2O4

3,5-Difluoro-4-(oxan-4-yloxy)benzoic acid

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID29356133

More details:

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

1275432-84-2 [RN]
3,5-Difluor-4-(tetrahydro-2H-pyran-4-yloxy)benzoesäure [German] [ACD/IUPAC Name]
3,5-Difluoro-4-(oxan-4-yloxy)benzoic acid
3,5-Difluoro-4-(tetrahydro-2H-pyran-4-yloxy)benzoic acid [ACD/IUPAC Name]
Acide 3,5-difluoro-4-(tétrahydro-2H-pyran-4-yloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-difluoro-4-[(tetrahydro-2H-pyran-4-yl)oxy]- [ACD/Index Name]
3,5-Difluoro-4-((tetrahydro-2H-pyran-4-yl)oxy)benzoic acid
KS-7369
MFCD19117307

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 394.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 192.4±27.9 °C
    Index of Refraction: 1.528
    Molar Refractivity: 57.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 0.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.37
    ACD/LogD (pH 7.4): -0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 56 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 187.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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