ChemSpider 2D Image | (4-((4-Chlorophenoxy)methyl)phenyl)boronic acid | C13H12BClO3

(4-((4-Chlorophenoxy)methyl)phenyl)boronic acid

  • Molecular FormulaC13H12BClO3
  • Average mass262.497 Da
  • Monoisotopic mass262.056793 Da
  • ChemSpider ID26533765

More details:

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

(4-((4-Chlorophenoxy)methyl)phenyl)boronic acid
{4-[(4-Chlorophenoxy)methyl]phenyl}boronic acid [ACD/IUPAC Name]
{4-[(4-Chlorphenoxy)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
1256358-72-1 [RN]
Acide {4-[(4-chlorophénoxy)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[(4-chlorophenoxy)methyl]phenyl]- [ACD/Index Name]
(3-((3-Chlorophenoxy)methyl)phenyl)boronic acid
[1256358-72-1] [RN]
1256358-73-2 [RN]
4-(4-chlorophenoxymethyl)phenylboronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 443.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 222.0±31.5 °C
    Index of Refraction: 1.606
    Molar Refractivity: 69.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 304.53
    ACD/KOC (pH 5.5): 2085.76
    ACD/LogD (pH 7.4): 3.54
    ACD/BCF (pH 7.4): 282.37
    ACD/KOC (pH 7.4): 1933.98
    Polar Surface Area: 50 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 200.7±5.0 cm3

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