ChemSpider 2D Image | methyl 2-iodo-4-fluorobenzoate | C8H6FIO2

methyl 2-iodo-4-fluorobenzoate

  • Molecular FormulaC8H6FIO2
  • Average mass280.035 Da
  • Monoisotopic mass279.939636 Da
  • ChemSpider ID49671979

More details:

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

1261678-05-0 [RN]
4-Fluoro-2-iodobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-2-iodo-, methyl ester [ACD/Index Name]
methyl 2-iodo-4-fluorobenzoate
Methyl 4-fluoro-2-iodobenzoate [ACD/IUPAC Name]
Methyl-4-fluor-2-iodbenzoat [German] [ACD/IUPAC Name]
MFCD18399307

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 257.1±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±3.0 kJ/mol
    Flash Point: 109.3±21.8 °C
    Index of Refraction: 1.577
    Molar Refractivity: 50.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 169.36
    ACD/KOC (pH 5.5): 1370.86
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 169.36
    ACD/KOC (pH 7.4): 1370.86
    Polar Surface Area: 26 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 153.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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