ChemSpider 2D Image | 3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen {2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl}boronate | C14H20BF3O5S

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen {2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl}boronate

  • Molecular FormulaC14H20BF3O5S
  • Average mass368.177 Da
  • Monoisotopic mass368.107666 Da
  • ChemSpider ID25949998

More details:

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

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen {2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl}boronate [ACD/IUPAC Name]
3-Hydroxy-2,3-dimethyl-2-butanyl-hydrogen{2-methyl-5-[(trifluormethyl)sulfonyl]phenyl}borat [German] [ACD/IUPAC Name]
Boronic acid, B-[2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl]-, mono(2-hydroxy-1,1,2-trimethylpropyl) ester [ACD/Index Name]
Hydrogéno{2-méthyl-5-[(trifluorométhyl)sulfonyl]phényl}boronate de 3-hydroxy-2,3-diméthyl-2-butanyle [French] [ACD/IUPAC Name]
1150271-69-4 [RN]
2-Methyl-5-(trifluoromethylsulfonyl)phenylboronic acid, pinacol ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 452.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.6±31.5 °C
Index of Refraction: 1.494
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 508.88
ACD/KOC (pH 5.5): 2987.47
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 153.63
ACD/KOC (pH 7.4): 901.91
Polar Surface Area: 92 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 279.4±5.0 cm3

Click to predict properties on the Chemicalize site


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