Found 16 results

Search term: MF = 'C_{9}H_{13}BO_{4}S'
ChemSpider 2D Image | [2-(Propylsulfonyl)phenyl]boronic acid | C9H13BO4S

[2-(Propylsulfonyl)phenyl]boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID68504331

More details:

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

[2-(Propylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-(Propylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [2-(propylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(propylsulfonyl)phenyl]- [ACD/Index Name]
[2-(PROPANE-1-SULFONYL)PHENYL]BORONIC ACID
2-(PROPANE-1-SULFONYL)PHENYLBORONIC ACID
2-(Propylsulfonyl)phenylboronic acid
2377607-64-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 470.8±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.5±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): 3.10
ACD/KOC (pH 5.5): 78.15
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 60.48
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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