ChemSpider 2D Image | 3-(3,5-Difluoro-4-{[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy}phenyl)propanoic acid | C20H14F5NO4

3-(3,5-Difluoro-4-{[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy}phenyl)propanoic acid

  • Molecular FormulaC20H14F5NO4
  • Average mass427.322 Da
  • Monoisotopic mass427.084290 Da
  • ChemSpider ID76755256

More details:

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

3-(3,5-Difluor-4-{[3-phenyl-5-(trifluormethyl)-1,2-oxazol-4-yl]methoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
3-(3,5-Difluoro-4-{[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy}phenyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(3,5-difluoro-4-{[3-phényl-5-(trifluorométhyl)-1,2-oxazol-4-yl]méthoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,5-difluoro-4-[[3-phenyl-5-(trifluoromethyl)-4-isoxazolyl]methoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 178.96
ACD/KOC (pH 5.5): 732.50
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 11.52
Polar Surface Area: 73 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

Click to predict properties on the Chemicalize site


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