Found 16 results

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

[2-(Isopropylsulfonyl)phenyl]boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID68504332

More details:

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

[2-(Isopropylsulfonyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-(Isopropylsulfonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [2-(isopropylsulfonyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[(1-methylethyl)sulfonyl]phenyl]- [ACD/Index Name]
[2-(PROPANE-2-SULFONYL)PHENYL]BORONIC ACID
2-(PROPANE-2-SULFONYL)PHENYLBORONIC ACID
2377611-12-4 [RN]
MFCD27935693

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.3±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.4±30.4 °C
Index of Refraction: 1.547
Molar Refractivity: 56.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 72.71
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 56.02
Polar Surface Area: 83 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 176.6±5.0 cm3

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