ChemSpider 2D Image | (4-Bromo-3-chlorophenyl)boronic acid | C6H5BBrClO2

(4-Bromo-3-chlorophenyl)boronic acid

  • Molecular FormulaC6H5BBrClO2
  • Average mass235.271 Da
  • Monoisotopic mass233.925446 Da
  • ChemSpider ID26535888

More details:

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

(4-Brom-3-chlorphenyl)borsäure [German] [ACD/IUPAC Name]
(4-Bromo-3-chlorophenyl)boronic acid [ACD/IUPAC Name]
1217501-28-4 [RN]
Acide (4-bromo-3-chlorophényl)boronique [French] [ACD/IUPAC Name]
B-(4-Bromo-3-chlorophenyl)boronic acid
Boronic acid, B-(4-bromo-3-chlorophenyl)- [ACD/Index Name]
(4-bromo-3-chloro-phenyl)boronic acid
(4-Bromo-3-chlorophenyl)boronicacid
[1217501-28-4] [RN]
4-bromo-3-chlorophenylboronic 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: 1.8±0.1 g/cm3
    Boiling Point: 361.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 172.6±30.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 45.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.71
    ACD/BCF (pH 5.5): 66.82
    ACD/KOC (pH 5.5): 701.30
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 29.76
    ACD/KOC (pH 7.4): 312.36
    Polar Surface Area: 40 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 56.3±5.0 dyne/cm
    Molar Volume: 131.4±5.0 cm3

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