ChemSpider 2D Image | Ethyl 3-chloro-4-fluoro-5-nitrobenzoate | C9H7ClFNO4

Ethyl 3-chloro-4-fluoro-5-nitrobenzoate

  • Molecular FormulaC9H7ClFNO4
  • Average mass247.608 Da
  • Monoisotopic mass247.004761 Da
  • ChemSpider ID37381529

More details:

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

1431505-19-9 [RN]
3-Chloro-4-fluoro-5-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-fluoro-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3-chloro-4-fluoro-5-nitrobenzoate [ACD/IUPAC Name]
Ethyl-3-chlor-4-fluor-5-nitrobenzoat [German] [ACD/IUPAC Name]
CS-12181
MFCD24108568

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 342.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.6±3.0 kJ/mol
    Flash Point: 160.8±26.5 °C
    Index of Refraction: 1.542
    Molar Refractivity: 54.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.43
    ACD/KOC (pH 5.5): 782.84
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.43
    ACD/KOC (pH 7.4): 782.84
    Polar Surface Area: 72 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 171.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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