ChemSpider 2D Image | Methyl 3-iodo-4-fluorobenzoate | C8H6FIO2

Methyl 3-iodo-4-fluorobenzoate

  • Molecular FormulaC8H6FIO2
  • Average mass280.035 Da
  • Monoisotopic mass279.939636 Da
  • ChemSpider ID24957586

More details:

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

1121586-29-5 [RN]
4-Fluoro-3-iodobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-iodo-, methyl ester [ACD/Index Name]
Methyl 3-iodo-4-fluorobenzoate
Methyl 4-fluoro-3-iodobenzoate [ACD/IUPAC Name]
Methyl-4-fluor-3-iodbenzoat [German] [ACD/IUPAC Name]
4-fluoro-3-iodobenzoic acid methyl ester
4-fluoro-3-iodo-benzoic acid methyl ester
4-Fluoro-3-iodo-benzoic acid methyl estermethyl 4-fluoro-3-iodo-benzoate
Methyl 4-Fluoro-3-Iodobenzoate (en)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 24859066 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 287.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.7±3.0 kJ/mol
    Flash Point: 127.9±23.2 °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: 3.30
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 135.44
    ACD/KOC (pH 5.5): 1168.21
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 135.44
    ACD/KOC (pH 7.4): 1168.21
    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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