ChemSpider 2D Image | Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate | C9H13BrN2O2

Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28942897

More details:

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

1401319-07-0 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-3-(1-methylethyl)-, methyl ester [ACD/Index Name]
4-Bromo-3-isopropyl-1-méthyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 4-bromo-1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylate
Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-3-isopropyl-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-5-isopropyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
AKOS015997227
BBL033303
MCULE-6880618899
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 320.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 147.6±27.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 57.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.44
    ACD/KOC (pH 5.5): 465.41
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.44
    ACD/KOC (pH 7.4): 465.41
    Polar Surface Area: 44 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 37.6±7.0 dyne/cm
    Molar Volume: 177.3±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement