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

Methyl 5-fluoro-2-methyl-3-nitrobenzoate

  • Molecular FormulaC9H8FNO4
  • Average mass213.163 Da
  • Monoisotopic mass213.043732 Da
  • ChemSpider ID22178012

More details:

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

5-Fluoro-2-méthyl-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
697739-03-0 [RN]
Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester [ACD/Index Name]
Methyl 5-fluoro-2-methyl-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-5-fluor-2-methyl-3-nitrobenzoat [German] [ACD/IUPAC Name]
5-fluoro-2-methyl-3-nitroBenzoic acid methyl ester
5-Fluoro-2-methyl-3-nitro-benzoic acid methyl ester
773135-70-9 [RN]
DS-17725
Ethyl 4-fluoro-2,6-dimethylbenzoate [ACD/IUPAC Name]
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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: 1.3±0.1 g/cm3
    Boiling Point: 297.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 133.9±27.3 °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

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