ChemSpider 2D Image | Ethyl 4-Fluoro-2-nitro-5-(1-pyrazolyl)benzoate | C12H10FN3O4

Ethyl 4-Fluoro-2-nitro-5-(1-pyrazolyl)benzoate

  • Molecular FormulaC12H10FN3O4
  • Average mass279.224 Da
  • Monoisotopic mass279.065521 Da
  • ChemSpider ID26403711

More details:

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

1256633-41-6 [RN]
4-Fluoro-2-nitro-5-(1H-pyrazol-1-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester [ACD/Index Name]
Ethyl 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)benzoate [ACD/IUPAC Name]
Ethyl 4-Fluoro-2-nitro-5-(1-pyrazolyl)benzoate
Ethyl-4-fluor-2-nitro-5-(1H-pyrazol-1-yl)benzoat [German] [ACD/IUPAC Name]
ETHYL 4-FLUORO-2-NITRO-5-(PYRAZOL-1-YL)BENZOATE
MFCD18071046 [MDL number]
ST-7176

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 412.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 203.5±28.7 °C
    Index of Refraction: 1.605
    Molar Refractivity: 67.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 33.13
    ACD/KOC (pH 5.5): 426.39
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 33.13
    ACD/KOC (pH 7.4): 426.39
    Polar Surface Area: 90 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 52.0±7.0 dyne/cm
    Molar Volume: 195.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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