ChemSpider 2D Image | 1-[(2-Chloro-5-nitrophenyl)amino]-1-oxo-2-propanyl (2E)-3-(2,4,5-trimethoxyphenyl)acrylate | C21H21ClN2O8

1-[(2-Chloro-5-nitrophenyl)amino]-1-oxo-2-propanyl (2E)-3-(2,4,5-trimethoxyphenyl)acrylate

  • Molecular FormulaC21H21ClN2O8
  • Average mass464.853 Da
  • Monoisotopic mass464.098633 Da
  • ChemSpider ID22908886

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2,4,5-Triméthoxyphényl)acrylate de 1-[(2-chloro-5-nitrophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-[(2-Chlor-5-nitrophenyl)amino]-1-oxo-2-propanyl-(2E)-3-(2,4,5-trimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
1-[(2-Chloro-5-nitrophenyl)amino]-1-oxo-2-propanyl (2E)-3-(2,4,5-trimethoxyphenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(2,4,5-trimethoxyphenyl)-, 2-[(2-chloro-5-nitrophenyl)amino]-1-methyl-2-oxoethyl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.38
ACD/KOC (pH 5.5): 2001.54
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.31
ACD/KOC (pH 7.4): 2001.10
Polar Surface Area: 129 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

Click to predict properties on the Chemicalize site


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