ChemSpider 2D Image | 3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen [1-(phenylsulfonyl)-1H-pyrazol-4-yl]boronate | C15H21BN2O5S

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen [1-(phenylsulfonyl)-1H-pyrazol-4-yl]boronate

  • Molecular FormulaC15H21BN2O5S
  • Average mass352.214 Da
  • Monoisotopic mass352.126434 Da
  • ChemSpider ID25949112

More details:

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

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen [1-(phenylsulfonyl)-1H-pyrazol-4-yl]boronate [ACD/IUPAC Name]
3-Hydroxy-2,3-dimethyl-2-butanyl-hydrogen[1-(phenylsulfonyl)-1H-pyrazol-4-yl]borat [German] [ACD/IUPAC Name]
Boronic acid, B-[1-(phenylsulfonyl)-1H-pyrazol-4-yl]-, mono(2-hydroxy-1,1,2-trimethylpropyl) ester [ACD/Index Name]
Hydrogéno[1-(phénylsulfonyl)-1H-pyrazol-4-yl]boronate de 3-hydroxy-2,3-diméthyl-2-butanyle [French] [ACD/IUPAC Name]
1-(Benzenesulfonyl)-1H-pyrazole-4-boronic acid pinacol ester
1-(Phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole [ACD/IUPAC Name]
1073372-04-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.97
ACD/KOC (pH 5.5): 373.57
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 93.33
Polar Surface Area: 110 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 286.1±7.0 cm3

Click to predict properties on the Chemicalize site


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