ChemSpider 2D Image | Methyl 4-cyano-2-fluoro-5-nitrobenzoate | C9H5FN2O4

Methyl 4-cyano-2-fluoro-5-nitrobenzoate

  • Molecular FormulaC9H5FN2O4
  • Average mass224.145 Da
  • Monoisotopic mass224.023331 Da
  • ChemSpider ID31103767

More details:

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

4-Cyano-2-fluoro-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-2-fluoro-5-nitro-, methyl ester [ACD/Index Name]
Methyl 4-cyano-2-fluoro-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-cyan-2-fluor-5-nitrobenzoat [German] [ACD/IUPAC Name]
1149388-51-1 [RN]
4-cyano-2-fluoro-5-nitro-benzoic acid methyl ester
AGN-PC-0HF647
AK157090
AKOS024262027
BD285503
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 397.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.1±27.9 °C
    Index of Refraction: 1.549
    Molar Refractivity: 48.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.13
    ACD/KOC (pH 5.5): 155.95
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 8.13
    ACD/KOC (pH 7.4): 155.95
    Polar Surface Area: 96 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 57.9±5.0 dyne/cm
    Molar Volume: 152.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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