ChemSpider 2D Image | (1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid | C12H15BN2O4

(1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid

  • Molecular FormulaC12H15BN2O4
  • Average mass262.069 Da
  • Monoisotopic mass262.112488 Da
  • ChemSpider ID28540357

More details:

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

(1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid [ACD/IUPAC Name]
(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)borsäure [German] [ACD/IUPAC Name]
1425334-89-9 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-borono-, 1,1-dimethylethyl ester [ACD/Index Name]
Acide (1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)boronique [French] [ACD/IUPAC Name]
{1-[(t-Butoxy)carbonyl]-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid
{1-[(tert-butoxy)carbonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid
1-(tert-butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid
1-(tert-butoxycarbonyl)pyrrolo[2,3-b]pyridin-3-ylboronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 454.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 228.9±31.5 °C
    Index of Refraction: 1.565
    Molar Refractivity: 68.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.54
    ACD/KOC (pH 5.5): 198.35
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 3.05
    ACD/KOC (pH 7.4): 52.42
    Polar Surface Area: 85 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 44.3±7.0 dyne/cm
    Molar Volume: 210.4±7.0 cm3

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