ChemSpider 2D Image | Methyl 3-chloro-5-fluoro-2-isopropoxybenzoate | C11H12ClFO3

Methyl 3-chloro-5-fluoro-2-isopropoxybenzoate

  • Molecular FormulaC11H12ClFO3
  • Average mass246.663 Da
  • Monoisotopic mass246.045898 Da
  • ChemSpider ID68911558

More details:

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

3-Chloro-5-fluoro-2-isopropoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-5-fluoro-2-(1-methylethoxy)-, methyl ester [ACD/Index Name]
Methyl 3-chloro-5-fluoro-2-isopropoxybenzoate [ACD/IUPAC Name]
Methyl-3-chlor-5-fluor-2-isopropoxybenzoat [German] [ACD/IUPAC Name]
2121777-23-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 319.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 125.5±17.0 °C
    Index of Refraction: 1.497
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 339.34
    ACD/KOC (pH 5.5): 2254.41
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 339.34
    ACD/KOC (pH 7.4): 2254.41
    Polar Surface Area: 36 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 200.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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