ChemSpider 2D Image | Methyl 2-chloro-4-iodobenzoate | C8H6ClIO2

Methyl 2-chloro-4-iodobenzoate

  • Molecular FormulaC8H6ClIO2
  • Average mass296.490 Da
  • Monoisotopic mass295.910095 Da
  • ChemSpider ID13486124

More details:

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

156573-32-9 [RN]
2-Chloro-4-iodobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-4-iodo-, methyl ester [ACD/Index Name]
Methyl 2-chloro-4-iodobenzoate [ACD/IUPAC Name]
Methyl-2-chlor-4-iodbenzoat [German] [ACD/IUPAC Name]
[156573-32-9] [RN]
2-Chloro-4-iodo-benzoic acid methyl ester
98%
MFCD11846101 [MDL number]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 308.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.5±23.7 °C
    Index of Refraction: 1.608
    Molar Refractivity: 55.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 245.69
    ACD/KOC (pH 5.5): 1789.16
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 245.69
    ACD/KOC (pH 7.4): 1789.16
    Polar Surface Area: 26 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 161.4±3.0 cm3

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