ChemSpider 2D Image | 3-{[2-(2-Bromo-4-chlorophenoxy)propanoyl]amino}-4-fluorobenzoic acid | C16H12BrClFNO4

3-{[2-(2-Bromo-4-chlorophenoxy)propanoyl]amino}-4-fluorobenzoic acid

  • Molecular FormulaC16H12BrClFNO4
  • Average mass416.626 Da
  • Monoisotopic mass414.962219 Da
  • ChemSpider ID67507836

More details:

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

3-{[2-(2-Brom-4-chlorphenoxy)propanoyl]amino}-4-fluorbenzoesäure [German] [ACD/IUPAC Name]
3-{[2-(2-Bromo-4-chlorophenoxy)propanoyl]amino}-4-fluorobenzoic acid [ACD/IUPAC Name]
Acide 3-{[2-(2-bromo-4-chlorophénoxy)propanoyl]amino}-4-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-4-fluoro- [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: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 50.62
ACD/KOC (pH 5.5): 215.55
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 7.63
Polar Surface Area: 76 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement