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

Methyl 4-fluoro-2-methyl-5-nitrobenzoate

  • Molecular FormulaC9H8FNO4
  • Average mass213.163 Da
  • Monoisotopic mass213.043732 Da
  • ChemSpider ID26051194

More details:

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

1163287-01-1 [RN]
2-Fluoro-5-(methoxycarbonyl)-4-methylnitrobenzene
4-Fluoro-2-méthyl-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
5-Fluoro-2-(methoxycarbonyl)-4-nitrotoluene
Benzoic acid, 4-fluoro-2-methyl-5-nitro-, methyl ester [ACD/Index Name]
Methyl 4-fluoro-2-methyl-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-fluor-2-methyl-5-nitrobenzoat [German] [ACD/IUPAC Name]
Methyl-4-fluoro-2-methyl-5-nitrobenzoate [German]
WNR BF D1 EVO1 [WLN]
[1163287-01-1] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 320.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 147.4±26.5 °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: 2.05
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.63
    ACD/KOC (pH 5.5): 403.10
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.63
    ACD/KOC (pH 7.4): 403.10
    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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