ChemSpider 2D Image | 2-Bromo-5-methyl-6-fluorophenylboronic acid | C7H7BBrFO2

2-Bromo-5-methyl-6-fluorophenylboronic acid

  • Molecular FormulaC7H7BBrFO2
  • Average mass232.843 Da
  • Monoisotopic mass231.970642 Da
  • ChemSpider ID21469216

More details:

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

(6-Brom-2-fluor-3-methylphenyl)borsäure [German] [ACD/IUPAC Name]
(6-Bromo-2-fluoro-3-methylphenyl)boronic acid [ACD/IUPAC Name]
2-Bromo-5-methyl-6-fluorophenylboronic acid
6-Bromo-2-fluoro-3-methylphenylboronic acid
957061-15-3 [RN]
Acide (6-bromo-2-fluoro-3-méthylphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(6-bromo-2-fluoro-3-methylphenyl)- [ACD/Index Name]
(6-Bromo-2-fluoro-3-methyl-phenyl)boronic acid
[957061-15-3] [RN]
1704069-07-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 347.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.8±30.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 45.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 58.85
    ACD/KOC (pH 5.5): 642.89
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 50.02
    ACD/KOC (pH 7.4): 546.43
    Polar Surface Area: 40 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 46.5±5.0 dyne/cm
    Molar Volume: 141.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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