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ChemSpider 2D Image | Ethyl 4-bromo-3-isopropoxy-1H-pyrazole-5-carboxylate | C9H13BrN2O3

Ethyl 4-bromo-3-isopropoxy-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O3
  • Average mass277.115 Da
  • Monoisotopic mass276.010956 Da
  • ChemSpider ID35488218

More details:

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

1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(1-methylethoxy)-, ethyl ester [ACD/Index Name]
4-Bromo-3-isopropoxy-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-bromo-3-isopropoxy-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-3-isopropoxy-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-5-isopropoxy-2H-pyrazole-3-carboxylic acid ethyl ester
MFCD26381391

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 376.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 181.6±26.5 °C
    Index of Refraction: 1.534
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.51
    ACD/KOC (pH 5.5): 439.01
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 33.59
    ACD/KOC (pH 7.4): 427.30
    Polar Surface Area: 64 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 189.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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