ChemSpider 2D Image | (4-Cyano-2-methoxyphenyl)boronic acid | C8H8BNO3

(4-Cyano-2-methoxyphenyl)boronic acid

  • Molecular FormulaC8H8BNO3
  • Average mass176.965 Da
  • Monoisotopic mass177.059723 Da
  • ChemSpider ID26536139

More details:

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

(4-Cyan-2-methoxyphenyl)borsäure [German] [ACD/IUPAC Name]
(4-Cyano-2-methoxyphenyl)boronic acid [ACD/IUPAC Name]
1256345-67-1 [RN]
Acide (4-cyano-2-méthoxyphényl)boronique [French] [ACD/IUPAC Name]
B-(4-Cyano-2-methoxyphenyl)boronic acid
Boronic acid, B-(4-cyano-2-methoxyphenyl)- [ACD/Index Name]
(3-(2-Ethoxy-2-oxoethyl)phenyl)boronic acid
(4-Cyano-2-methoxy-phenyl)boronic acid
(4-Cyano-2-methoxyphenyl)boronicacid
[1256345-67-1] [RN]
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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: 387.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 187.8±30.7 °C
    Index of Refraction: 1.547
    Molar Refractivity: 44.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.88
    ACD/KOC (pH 5.5): 91.46
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 1.97
    ACD/KOC (pH 7.4): 46.58
    Polar Surface Area: 73 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 54.0±5.0 dyne/cm
    Molar Volume: 139.4±5.0 cm3

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