ChemSpider 2D Image | 6-Ethoxy-2-fluoro-3-methylphenylboronic acid | C9H12BFO3

6-Ethoxy-2-fluoro-3-methylphenylboronic acid

  • Molecular FormulaC9H12BFO3
  • Average mass197.999 Da
  • Monoisotopic mass198.086349 Da
  • ChemSpider ID29355586

More details:

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

(6-Ethoxy-2-fluor-3-methylphenyl)borsäure [German] [ACD/IUPAC Name]
(6-Ethoxy-2-fluoro-3-methylphenyl)boronic acid [ACD/IUPAC Name]
1451391-66-4 [RN]
6-Ethoxy-2-fluoro-3-methylphenylboronic acid
Acide (6-éthoxy-2-fluoro-3-méthylphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(6-ethoxy-2-fluoro-3-methylphenyl)- [ACD/Index Name]
(6-ethoxy-2-fluoro-3-methyl-phenyl)boronic acid
[1451391-66-4] [RN]
6-Ethoxy-2-fluoro-3-methylphenylboronicacid
BB-4023
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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: 337.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.3±3.0 kJ/mol
    Flash Point: 158.0±30.7 °C
    Index of Refraction: 1.500
    Molar Refractivity: 49.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.22
    ACD/KOC (pH 5.5): 427.03
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 30.61
    ACD/KOC (pH 7.4): 393.56
    Polar Surface Area: 50 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 38.8±5.0 dyne/cm
    Molar Volume: 166.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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