ChemSpider 2D Image | Methyl 5-bromo-1H-pyrazole-3-carboxylate | C5H5BrN2O2

Methyl 5-bromo-1H-pyrazole-3-carboxylate

  • Molecular FormulaC5H5BrN2O2
  • Average mass205.009 Da
  • Monoisotopic mass203.953430 Da
  • ChemSpider ID28536942

More details:

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

1328893-17-9 [RN]
1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester [ACD/Index Name]
2246373-43-1 [RN]
5-Bromo-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-brom-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
[1328893-17-9] [RN]
30273-47-3 [RN]
AGN-PC-0JF3UN
AK109827
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 329.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 153.1±22.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 38.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.64
    ACD/KOC (pH 5.5): 134.83
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.14
    ACD/KOC (pH 7.4): 104.26
    Polar Surface Area: 55 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 115.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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