ChemSpider 2D Image | [3-Hydroxy-2-(trifluoromethoxy)phenyl]boronic acid | C7H6BF3O4

[3-Hydroxy-2-(trifluoromethoxy)phenyl]boronic acid

  • Molecular FormulaC7H6BF3O4
  • Average mass221.926 Da
  • Monoisotopic mass222.031128 Da
  • ChemSpider ID76589673

More details:

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

[3-Hydroxy-2-(trifluormethoxy)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-Hydroxy-2-(trifluoromethoxy)phenyl]boronic acid [ACD/IUPAC Name]
Acide [3-hydroxy-2-(trifluorométhoxy)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-hydroxy-2-(trifluoromethoxy)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 334.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 155.9±30.7 °C
Index of Refraction: 1.494
Molar Refractivity: 41.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.64
ACD/KOC (pH 5.5): 119.68
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 60.94
Polar Surface Area: 70 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 142.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement