ChemSpider 2D Image | 4-{[(4-{[4-(4-Methylphenoxy)phenyl]amino}-4-oxobutanoyl)oxy]acetyl}phenyl 4-nitrobenzoate | C32H26N2O9

4-{[(4-{[4-(4-Methylphenoxy)phenyl]amino}-4-oxobutanoyl)oxy]acetyl}phenyl 4-nitrobenzoate

  • Molecular FormulaC32H26N2O9
  • Average mass582.557 Da
  • Monoisotopic mass582.163818 Da
  • ChemSpider ID108282163

More details:

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

4-{[(4-{[4-(4-Methylphenoxy)phenyl]amino}-4-oxobutanoyl)oxy]acetyl}phenyl 4-nitrobenzoate [ACD/IUPAC Name]
4-{[(4-{[4-(4-Methylphenoxy)phenyl]amino}-4-oxobutanoyl)oxy]acetyl}phenyl-4-nitrobenzoat [German] [ACD/IUPAC Name]
4-Nitrobenzoate de 4-{2-[(4-{[4-(4-méthylphénoxy)phényl]amino}-4-oxobutanoyl)oxy]acétyl}phényle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-(4-methylphenoxy)phenyl]amino]-4-oxo-, 2-[4-[(4-nitrobenzoyl)oxy]phenyl]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 807.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 441.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17418.29
ACD/KOC (pH 5.5): 37782.90
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17418.69
ACD/KOC (pH 7.4): 37783.77
Polar Surface Area: 154 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 433.6±3.0 cm3

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