ChemSpider 2D Image | Methyl 4-[3-(3-{[3,5-bis(trifluoromethyl)benzoyl]amino}phenoxy)propoxy]benzoate | C26H21F6NO5

Methyl 4-[3-(3-{[3,5-bis(trifluoromethyl)benzoyl]amino}phenoxy)propoxy]benzoate

  • Molecular FormulaC26H21F6NO5
  • Average mass541.439 Da
  • Monoisotopic mass541.132385 Da
  • ChemSpider ID67120082

More details:

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

4-[3-(3-{[3,5-Bis(trifluorométhyl)benzoyl]amino}phénoxy)propoxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[3-[[3,5-bis(trifluoromethyl)benzoyl]amino]phenoxy]propoxy]-, methyl ester [ACD/Index Name]
Methyl 4-[3-(3-{[3,5-bis(trifluoromethyl)benzoyl]amino}phenoxy)propoxy]benzoate [ACD/IUPAC Name]
Methyl-4-[3-(3-{[3,5-bis(trifluormethyl)benzoyl]amino}phenoxy)propoxy]benzoat [German] [ACD/IUPAC 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: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 61959.05
ACD/KOC (pH 5.5): 93706.41
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 61958.16
ACD/KOC (pH 7.4): 93705.08
Polar Surface Area: 74 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

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