ChemSpider 2D Image | Ethyl 5-bromo-4-(methoxymethyl)-1-methyl-1H-pyrazole-3-carboxylate | C9H13BrN2O3

Ethyl 5-bromo-4-(methoxymethyl)-1-methyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC9H13BrN2O3
  • Average mass277.115 Da
  • Monoisotopic mass276.010956 Da
  • ChemSpider ID35516328

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-bromo-4-(methoxymethyl)-1-methyl-, ethyl ester [ACD/Index Name]
5-Bromo-4-(méthoxyméthyl)-1-méthyl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-4-(methoxymethyl)-1-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-4-(methoxymethyl)-1-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-4-methoxymethyl-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
MFCD28955041

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 351.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 166.3±27.9 °C
    Index of Refraction: 1.553
    Molar Refractivity: 59.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 17.11
    ACD/KOC (pH 5.5): 265.74
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 17.11
    ACD/KOC (pH 7.4): 265.74
    Polar Surface Area: 53 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 40.5±7.0 dyne/cm
    Molar Volume: 184.7±7.0 cm3

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