ChemSpider 2D Image | (2-Bromo-3,4-difluorophenyl)boronic acid | C6H4BBrF2O2

(2-Bromo-3,4-difluorophenyl)boronic acid

  • Molecular FormulaC6H4BBrF2O2
  • Average mass236.807 Da
  • Monoisotopic mass235.945572 Da
  • ChemSpider ID97014657

More details:

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

(2-Brom-3,4-difluorphenyl)borsäure [German] [ACD/IUPAC Name]
(2-Bromo-3,4-difluorophenyl)boronic acid [ACD/IUPAC Name]
Acide (2-bromo-3,4-difluorophényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-bromo-3,4-difluorophenyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 317.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 145.8±30.7 °C
Index of Refraction: 1.548
Molar Refractivity: 41.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.35
ACD/KOC (pH 5.5): 389.31
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 13.37
ACD/KOC (pH 7.4): 177.32
Polar Surface Area: 40 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 129.8±5.0 cm3

Click to predict properties on the Chemicalize site


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