ChemSpider 2D Image | 2-Ethylsulfonylphenylboronic acid | C8H11BO4S

2-Ethylsulfonylphenylboronic acid

  • Molecular FormulaC8H11BO4S
  • Average mass214.046 Da
  • Monoisotopic mass214.047104 Da
  • ChemSpider ID23646275

More details:

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

(2-(Ethylsulfonyl)phenyl)boronic acid
[2-(Ethylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-(Ethylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1042443-60-6 [RN]
2-Ethylsulfonylphenylboronic acid
Acide [2-(éthylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(ethylsulfonyl)phenyl]- [ACD/Index Name]
MFCD03095198 [MDL number]
(2-(Ethylsulfonyl)phenyl)boronicacid
(2-ethylsulfonylphenyl)boronic 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: 468.4±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.0±3.0 kJ/mol
    Flash Point: 237.1±30.4 °C
    Index of Refraction: 1.557
    Molar Refractivity: 51.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.40
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.72
    ACD/KOC (pH 5.5): 51.30
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.29
    ACD/KOC (pH 7.4): 38.52
    Polar Surface Area: 83 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 52.6±5.0 dyne/cm
    Molar Volume: 159.6±5.0 cm3

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