ChemSpider 2D Image | 4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 3,4-difluorobenzoate | C27H27F2NO6

4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 3,4-difluorobenzoate

  • Molecular FormulaC27H27F2NO6
  • Average mass499.503 Da
  • Monoisotopic mass499.180634 Da
  • ChemSpider ID66752561

More details:

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

3,4-Difluorobenzoate de 4-{[(3,4,5-triéthoxybenzoyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl 3,4-difluorobenzoate [ACD/IUPAC Name]
4-{[(3,4,5-Triethoxybenzoyl)amino]methyl}phenyl-3,4-difluorbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4-difluoro-, 4-[[(3,4,5-triethoxybenzoyl)amino]methyl]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: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1926.90
ACD/KOC (pH 5.5): 7814.45
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1926.89
ACD/KOC (pH 7.4): 7814.44
Polar Surface Area: 83 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 403.8±3.0 cm3

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