ChemSpider 2D Image | 2-Methyl-3-(methylsulfonyl)phenylboronic Acid | C8H11BO4S

2-Methyl-3-(methylsulfonyl)phenylboronic Acid

  • Molecular FormulaC8H11BO4S
  • Average mass214.046 Da
  • Monoisotopic mass214.047104 Da
  • ChemSpider ID32821457

More details:

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

[2-Methyl-3-(methylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-Methyl-3-(methylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1313617-69-4 [RN]
2-Methyl-3-(methylsulfonyl)phenylboronic Acid
Acide [2-méthyl-3-(méthylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-methyl-3-(methylsulfonyl)phenyl]- [ACD/Index Name]
(2-methyl-3-(methylsulfonyl)phenyl)boronic acid
(3-METHANESULFONYL-2-METHYLPHENYL)BORONIC ACID
3-METHANESULFONYL-2-METHYLPHENYLBORONIC ACID
95%
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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: 482.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±3.0 kJ/mol
    Flash Point: 245.9±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 51.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.33
    ACD/LogD (pH 5.5): 0.60
    ACD/BCF (pH 5.5): 1.66
    ACD/KOC (pH 5.5): 49.75
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.25
    Polar Surface Area: 83 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 52.3±5.0 dyne/cm
    Molar Volume: 159.1±5.0 cm3

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