ChemSpider 2D Image | tert-butyl 3-(6-bromopyridin-2-yl)azetidine-1-carboxylate | C13H17BrN2O2

tert-butyl 3-(6-bromopyridin-2-yl)azetidine-1-carboxylate

  • Molecular FormulaC13H17BrN2O2
  • Average mass313.190 Da
  • Monoisotopic mass312.047333 Da
  • ChemSpider ID28467093

More details:

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

1356086-76-4 [RN]
1-Azetidinecarboxylic acid, 3-(6-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(6-bromo-2-pyridinyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(6-brom-2-pyridinyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(6-Bromo-2-pyridinyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(6-bromopyridin-2-yl)azetidine-1-carboxylate
MFCD20528849 [MDL number]
tert-butyl-3-(6-bromopyridin-2-yl)azetidine-1-carboxylate

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

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 386.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.6±27.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 72.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 53.01
    ACD/KOC (pH 5.5): 596.87
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 53.01
    ACD/KOC (pH 7.4): 596.88
    Polar Surface Area: 42 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 222.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement