ChemSpider 2D Image | 1-Boc-3-(4-Bromo-1H-pyrazol-1-yl)azetidine | C11H16BrN3O2

1-Boc-3-(4-Bromo-1H-pyrazol-1-yl)azetidine

  • Molecular FormulaC11H16BrN3O2
  • Average mass302.168 Da
  • Monoisotopic mass301.042572 Da
  • ChemSpider ID25997302

More details:

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

1-Azetidinecarboxylic acid, 3-(4-bromo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1-Boc-3-(4-Bromo-1H-pyrazol-1-yl)azetidine
2-Methyl-2-propanyl 3-(4-bromo-1H-pyrazol-1-yl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-brom-1H-pyrazol-1-yl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Bromo-1H-pyrazol-1-yl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
877399-34-3 [RN]
MFCD17480368 [MDL number]
tert-butyl 3-(4-bromo-1H-pyrazol-1-yl)azetidine-1-carboxylate
95%
tert-Butyl 3-(4-bromopyrazol-1-yl)azetidine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 382.1±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±3.0 kJ/mol
    Flash Point: 184.9±25.1 °C
    Index of Refraction: 1.612
    Molar Refractivity: 68.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 32.83
    ACD/KOC (pH 5.5): 423.57
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 32.83
    ACD/KOC (pH 7.4): 423.57
    Polar Surface Area: 47 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 46.8±7.0 dyne/cm
    Molar Volume: 198.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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