ChemSpider 2D Image | 2-({4-[4-(2-Methyl-2-butanyl)phenoxy]phenyl}amino)-2-oxoethyl (2,6-dichlorophenyl)acetate | C27H27Cl2NO4

2-({4-[4-(2-Methyl-2-butanyl)phenoxy]phenyl}amino)-2-oxoethyl (2,6-dichlorophenyl)acetate

  • Molecular FormulaC27H27Cl2NO4
  • Average mass500.414 Da
  • Monoisotopic mass499.131714 Da
  • ChemSpider ID1758116

More details:

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

(2,6-Dichlorophényl)acétate de 2-({4-[4-(2-méthyl-2-butanyl)phénoxy]phényl}amino)-2-oxoéthyle [French] [ACD/IUPAC Name]
2-({4-[4-(2-Methyl-2-butanyl)phenoxy]phenyl}amino)-2-oxoethyl (2,6-dichlorophenyl)acetate [ACD/IUPAC Name]
2-({4-[4-(2-Methyl-2-butanyl)phenoxy]phenyl}amino)-2-oxoethyl-(2,6-dichlorphenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 2,6-dichloro-, 2-[[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

ZINC03235807 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.6±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 240208.33
ACD/KOC (pH 5.5): 247171.13
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 240205.42
ACD/KOC (pH 7.4): 247168.14
Polar Surface Area: 65 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 397.4±3.0 cm3

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