ChemSpider 2D Image | Methyl 3-fluoro-4-methyl-5-nitrobenzoate | C9H8FNO4

Methyl 3-fluoro-4-methyl-5-nitrobenzoate

  • Molecular FormulaC9H8FNO4
  • Average mass213.163 Da
  • Monoisotopic mass213.043732 Da
  • ChemSpider ID25992645

More details:

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

3-Fluoro-4-méthyl-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-methyl-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-fluoro-4-methyl-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-fluor-4-methyl-5-nitrobenzoat [German] [ACD/IUPAC Name]
1057652-89-7 [RN]
3-Flouro-4-methyl-5-nitro-benzoic acid methyl ester
3-fluoro-4-methyl-5-nitro-benzoic acid methyl ester
MFCD11845447 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 308.5±42.0 °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: 140.4±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 49.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.43
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.35
    ACD/KOC (pH 5.5): 464.61
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.35
    ACD/KOC (pH 7.4): 464.61
    Polar Surface Area: 72 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 159.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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