ChemSpider 2D Image | Ethyl 3-bromo-1-(2-methoxyethyl)-1H-pyrazole-4-carboxylate | C9H13BrN2O3

Ethyl 3-bromo-1-(2-methoxyethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC9H13BrN2O3
  • Average mass277.115 Da
  • Monoisotopic mass276.010956 Da
  • ChemSpider ID35499123

More details:

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

1707393-81-4 [RN]
1H-Pyrazole-4-carboxylic acid, 3-bromo-1-(2-methoxyethyl)-, ethyl ester [ACD/Index Name]
3-Bromo-1-(2-méthoxyéthyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-bromo-1-(2-methoxyethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-brom-1-(2-methoxyethyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
3-Bromo-1-(2-methoxy-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 3-bromo-1-(2-methoxyethyl)pyrazole-4-carboxylate
MFCD27940672

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 338.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.2±3.0 kJ/mol
    Flash Point: 158.7±25.1 °C
    Index of Refraction: 1.552
    Molar Refractivity: 59.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 21.69
    ACD/KOC (pH 5.5): 314.88
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 21.69
    ACD/KOC (pH 7.4): 314.88
    Polar Surface Area: 53 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 42.3±7.0 dyne/cm
    Molar Volume: 185.6±7.0 cm3

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