ChemSpider 2D Image | tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate | C12H13BrN2O2

tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC12H13BrN2O2
  • Average mass297.148 Da
  • Monoisotopic mass296.016022 Da
  • ChemSpider ID21329284

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

1,1-Dimethylethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-brom-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
5-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acidtert-butyl ester
928653-80-9 [RN]
tert-butyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
tert-butyl 5-bromopyrrolo[2,3-b]pyridine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08741534 [DBID]
CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 361.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.6±28.7 °C
    Index of Refraction: 1.599
    Molar Refractivity: 69.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 201.54
    ACD/KOC (pH 5.5): 1552.62
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 201.54
    ACD/KOC (pH 7.4): 1552.64
    Polar Surface Area: 44 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 43.6±7.0 dyne/cm
    Molar Volume: 203.4±7.0 cm3

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