ChemSpider 2D Image | tert-Butyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate | C9H13BrN2O2

tert-Butyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID26520721

More details:

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

1,1-Dimethylethyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
1021919-24-3 [RN]
1H-Pyrazole-1-carboxylic acid, 4-bromo-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-3-methyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-3-méthyl-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
[1021919-24-3] [RN]
1-BOC-4-BROMO-3-METHYLPYRAZOLE
HI-1788
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 307.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 140.0±25.7 °C
    Index of Refraction: 1.549
    Molar Refractivity: 58.1±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 51.22
    ACD/KOC (pH 5.5): 582.37
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 51.22
    ACD/KOC (pH 7.4): 582.37
    Polar Surface Area: 44 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 38.2±7.0 dyne/cm
    Molar Volume: 182.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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