ChemSpider 2D Image | 2-(2,5-Dimethoxyphenyl)-2-oxoethyl N-(4-chloro-3-nitrobenzoyl)valinate | C22H23ClN2O8

2-(2,5-Dimethoxyphenyl)-2-oxoethyl N-(4-chloro-3-nitrobenzoyl)valinate

  • Molecular FormulaC22H23ClN2O8
  • Average mass478.880 Da
  • Monoisotopic mass478.114288 Da
  • ChemSpider ID21729998

More details:






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

2-(2,5-Dimethoxyphenyl)-2-oxoethyl N-(4-chloro-3-nitrobenzoyl)valinate [ACD/IUPAC Name]
2-(2,5-Dimethoxyphenyl)-2-oxoethyl-N-(4-chlor-3-nitrobenzoyl)valinat [German] [ACD/IUPAC Name]
N-(4-Chloro-3-nitrobenzoyl)valinate de 2-(2,5-diméthoxyphényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Valine, N-(4-chloro-3-nitrobenzoyl)-, 2-(2,5-dimethoxyphenyl)-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 634.4±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: 337.5±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 530.10
ACD/KOC (pH 5.5): 3102.39
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 530.02
ACD/KOC (pH 7.4): 3101.92
Polar Surface Area: 137 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 364.3±3.0 cm3

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