ChemSpider 2D Image | 4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl 4-(difluoromethoxy)-3,5-dimethoxybenzoate | C27H27F2NO6

4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl 4-(difluoromethoxy)-3,5-dimethoxybenzoate

  • Molecular FormulaC27H27F2NO6
  • Average mass499.503 Da
  • Monoisotopic mass499.180634 Da
  • ChemSpider ID81150758

More details:

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

4-(Difluorométhoxy)-3,5-diméthoxybenzoate de 4-{[4-(2-méthyl-2-propanyl)benzoyl]amino}phényle [French] [ACD/IUPAC Name]
4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl 4-(difluoromethoxy)-3,5-dimethoxybenzoate [ACD/IUPAC Name]
4-{[4-(2-Methyl-2-propanyl)benzoyl]amino}phenyl-4-(difluormethoxy)-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(difluoromethoxy)-3,5-dimethoxy-, 4-[[4-(1,1-dimethylethyl)benzoyl]amino]phenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.7±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6609.56
ACD/KOC (pH 5.5): 18882.98
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6609.53
ACD/KOC (pH 7.4): 18882.92
Polar Surface Area: 83 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 401.7±3.0 cm3

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