ChemSpider 2D Image | 3-Fluoro-5-iodo-4-methylbenzoic acid | C8H6FIO2

3-Fluoro-5-iodo-4-methylbenzoic acid

  • Molecular FormulaC8H6FIO2
  • Average mass280.035 Da
  • Monoisotopic mass279.939636 Da
  • ChemSpider ID24593726

More details:

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

14367565 [Beilstein]
3-Fluor-5-iod-4-methylbenzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-5-iodo-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-5-iodo-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-5-iodo-4-methyl- [ACD/Index Name]
QVR BF EI D1 [WLN]
[861905-94-4] [RN]
3-Fluoro-4-methyl-5-iodobenzoic acid
4-Allylhepta-1,6-dien-4-ol
4-Carboxy-2-fluoro-6-iodotoluene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 347.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 164.1±27.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 50.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 3.25
    ACD/KOC (pH 5.5): 24.83
    ACD/LogD (pH 7.4): 0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.42
    Polar Surface Area: 37 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 144.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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