ChemSpider 2D Image | tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C12H13ClN2O2

tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC12H13ClN2O2
  • Average mass252.697 Da
  • Monoisotopic mass252.066559 Da
  • ChemSpider ID23361428

More details:

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

1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 4-chloro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-chlor-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
4-Chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
945599-50-8 [RN]
tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
[945599-50-8] [RN]
1-Boc-4-chloro-7-azaindole
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid,4-chloro-,1,1-dimethylethyl ester
Chemistry 19197
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 345.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.0±3.0 kJ/mol
    Flash Point: 162.9±28.7 °C
    Index of Refraction: 1.580
    Molar Refractivity: 66.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.19
    ACD/LogD (pH 5.5): 3.55
    ACD/BCF (pH 5.5): 292.75
    ACD/KOC (pH 5.5): 2026.74
    ACD/LogD (pH 7.4): 3.55
    ACD/BCF (pH 7.4): 293.52
    ACD/KOC (pH 7.4): 2032.04
    Polar Surface Area: 44 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 41.5±7.0 dyne/cm
    Molar Volume: 200.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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