ChemSpider 2D Image | [6-(3-Methoxyphenoxy)-3-pyridinyl]boronic acid | C12H12BNO4

[6-(3-Methoxyphenoxy)-3-pyridinyl]boronic acid

  • Molecular FormulaC12H12BNO4
  • Average mass245.039 Da
  • Monoisotopic mass245.085938 Da
  • ChemSpider ID29355039

More details:

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

[6-(3-Methoxyphenoxy)-3-pyridinyl]boronic acid [ACD/IUPAC Name]
[6-(3-Methoxyphenoxy)-3-pyridinyl]borsäure [German] [ACD/IUPAC Name]
[6-(3-METHOXYPHENOXY)PYRIDIN-3-YL]BORONIC ACID
2096338-80-4 [RN]
Acide [6-(3-méthoxyphénoxy)-3-pyridinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[6-(3-methoxyphenoxy)-3-pyridinyl]- [ACD/Index Name]
(6-(3-Methoxyphenoxy)pyridin-3-yl)boronic acid
6-(3-METHOXYPHENOXY)PYRIDIN-3-YLBORONIC ACID
6-(3-Methoxyphenoxy)pyridine-3-boronic acid
BB-4528
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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: 436.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 218.0±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 63.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 6.76
    ACD/KOC (pH 5.5): 128.14
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.54
    Polar Surface Area: 72 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 57.3±5.0 dyne/cm
    Molar Volume: 188.3±5.0 cm3

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