ChemSpider 2D Image | (2-(Methoxycarbonyl)pyridin-4-yl)boronic acid | C7H8BNO4

(2-(Methoxycarbonyl)pyridin-4-yl)boronic acid

  • Molecular FormulaC7H8BNO4
  • Average mass180.954 Da
  • Monoisotopic mass181.054642 Da
  • ChemSpider ID24958367

More details:

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

(2-(Methoxycarbonyl)pyridin-4-yl)boronic acid
[2-(Methoxycarbonyl)-4-pyridinyl]boronic acid [ACD/IUPAC Name]
[2-(Methoxycarbonyl)-4-pyridinyl]borsäure [German] [ACD/IUPAC Name]
1150114-30-9 [RN]
2-Pyridinecarboxylic acid, 4-borono-, 2-methyl ester
2-Pyridinecarboxylic acid, 4-borono-, methyl ester [ACD/Index Name]
Acide [2-(méthoxycarbonyl)-4-pyridinyl]boronique [French] [ACD/IUPAC Name]
(2-(Methoxycarbonyl)pyridin-4-yl)boronicacid
(2-methoxycarbonylpyridin-4-yl)boronic acid
[2-(Methoxycarbonyl)pyridin-4-yl]boronic acid
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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: 410.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 201.8±31.5 °C
    Index of Refraction: 1.533
    Molar Refractivity: 42.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.87
    ACD/LogD (pH 7.4): -0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.47
    Polar Surface Area: 80 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 55.4±5.0 dyne/cm
    Molar Volume: 136.0±5.0 cm3

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