ChemSpider 2D Image | (4-(Propylsulfonyl)phenyl)boronic acid | C9H13BO4S

(4-(Propylsulfonyl)phenyl)boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID26534074

More details:

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

(4-(Propylsulfonyl)phenyl)boronic acid
[4-(Propylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[4-(Propylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1217501-34-2 [RN]
Acide [4-(propylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
B-[4-(Propylsulfonyl)phenyl]boronic acid
Boronic acid, B-[4-(propylsulfonyl)phenyl]- [ACD/Index Name]
(4-(Propylsulfonyl)phenyl)boronicacid
[1217501-34-2] [RN]
[4-(Propane-1-sulfonyl)phenyl]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: 451.4±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 226.8±30.4 °C
    Index of Refraction: 1.549
    Molar Refractivity: 56.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.09
    ACD/KOC (pH 5.5): 77.96
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 2.10
    ACD/KOC (pH 7.4): 52.83
    Polar Surface Area: 83 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 176.0±5.0 cm3

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