ChemSpider 2D Image | 5-(Allyloxy)-4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid | C8H9BrN2O3

5-(Allyloxy)-4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC8H9BrN2O3
  • Average mass261.073 Da
  • Monoisotopic mass259.979645 Da
  • ChemSpider ID24798498

More details:

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

1239741-04-8 [RN]
1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-(2-propen-1-yloxy)- [ACD/Index Name]
4-bromo-1-methyl-5-(prop-2-en-1-yloxy)-1H-pyrazole-3-carboxylic acid
5-(Allyloxy)-4-brom-1-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(Allyloxy)-4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(allyloxy)-4-bromo-1-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
4-bromo-1-methyl-5-prop-2-enoxypyrazole-3-carboxylic acid
5-Allyloxy-4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
MFCD16547352

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 402.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.9±3.0 kJ/mol
    Flash Point: 196.9±28.7 °C
    Index of Refraction: 1.591
    Molar Refractivity: 54.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): -0.84
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 160.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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