ChemSpider 2D Image | 4-Benzyloxy-2,6-difluorophenylboronic acid | C13H11BF2O3

4-Benzyloxy-2,6-difluorophenylboronic acid

  • Molecular FormulaC13H11BF2O3
  • Average mass264.032 Da
  • Monoisotopic mass264.076935 Da
  • ChemSpider ID24539896

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

[4-(Benzyloxy)-2,6-difluorophenyl]boronic acid [ACD/IUPAC Name]
[4-(Benzyloxy)-2,6-difluorphenyl]borsäure [German] [ACD/IUPAC Name]
156635-89-1 [RN]
4-(benzyloxy)-2,6-difluorophenylboronic acid
4-Benzyloxy-2,6-difluorophenylboronic acid
Acide [4-(benzyloxy)-2,6-difluorophényl]boreique [French] [ACD/IUPAC Name]
boronic acid, B-[2,6-difluoro-4-(phenylmethoxy)phenyl]- [ACD/Index Name]
MFCD12026734 [MDL number]
(2,6-difluoro-4-phenylmethoxyphenyl)boronic acid
(4-(Benzyloxy)-2,6-difluorophenyl)boronic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 389.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 189.2±30.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 64.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 136.32
    ACD/KOC (pH 5.5): 1173.06
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 120.98
    ACD/KOC (pH 7.4): 1041.07
    Polar Surface Area: 50 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 46.2±5.0 dyne/cm
    Molar Volume: 199.0±5.0 cm3

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