ChemSpider 2D Image | 2-Chloro-6-fluoro-3-methoxyphenylboronic acid | C7H7BClFO3

2-Chloro-6-fluoro-3-methoxyphenylboronic acid

  • Molecular FormulaC7H7BClFO3
  • Average mass204.391 Da
  • Monoisotopic mass204.016083 Da
  • ChemSpider ID24539880

More details:

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

(2-Chlor-6-fluor-3-methoxyphenyl)borsäure [German] [ACD/IUPAC Name]
(2-chloro-6-fluoro-3-methoxyphenyl)boronic acid [ACD/IUPAC Name]
1072945-77-7 [RN]
2-Chloro-6-fluoro-3-methoxyphenylboronic acid
Acide (2-chloro-6-fluoro-3-méthoxyphényl)boreique [French] [ACD/IUPAC Name]
boronic acid, B-(2-chloro-6-fluoro-3-methoxyphenyl)- [ACD/Index Name]
(2-Chloro-6-fluoro-3-methoxy-phenyl)boronic acid
[1072945-77-7] [RN]
2-Chloro-3-methoxy-6-fluorophenylboronic acid
2-Chloro-6-fluoro-3-methoxyphenyl 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: 1.4±0.1 g/cm3
    Boiling Point: 358.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 170.6±30.7 °C
    Index of Refraction: 1.525
    Molar Refractivity: 44.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 17.98
    ACD/KOC (pH 5.5): 274.65
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 11.12
    ACD/KOC (pH 7.4): 169.88
    Polar Surface Area: 50 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 44.1±5.0 dyne/cm
    Molar Volume: 145.5±5.0 cm3

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