ChemSpider 2D Image | 5-Cyano-2-(trifluoromethoxy)phenylboronic acid | C8H5BF3NO3

5-Cyano-2-(trifluoromethoxy)phenylboronic acid

  • Molecular FormulaC8H5BF3NO3
  • Average mass230.936 Da
  • Monoisotopic mass231.031464 Da
  • ChemSpider ID25949411

More details:

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

(5-Cyano-2-(trifluoromethoxy)phenyl)boronic acid
[5-Cyan-2-(trifluormethoxy)phenyl]borsäure [German] [ACD/IUPAC Name]
[5-Cyano-2-(trifluoromethoxy)phenyl]boronic acid [ACD/IUPAC Name]
1072946-64-5 [RN]
5-Cyano-2-(trifluoromethoxy)phenylboronic acid
Acide [5-cyano-2-(trifluorométhoxy)phényl]boronique [French] [ACD/IUPAC Name]
B-[5-Cyano-2-(trifluoromethoxy)phenyl]boronic acid
Boronic acid, B-[5-cyano-2-(trifluoromethoxy)phenyl]- [ACD/Index Name]
MFCD11053857 [MDL number]
(2-(Ethoxycarbonyl)-4-fluorophenyl)boronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 355.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 168.5±30.7 °C
    Index of Refraction: 1.486
    Molar Refractivity: 44.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.47
    ACD/KOC (pH 5.5): 243.56
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 3.14
    ACD/KOC (pH 7.4): 49.43
    Polar Surface Area: 73 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 44.7±5.0 dyne/cm
    Molar Volume: 155.3±5.0 cm3

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