ChemSpider 2D Image | 2-{2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-2-oxoethyl (2E)-3-phenylacrylate | C22H20Cl2N2O8

2-{2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-2-oxoethyl (2E)-3-phenylacrylate

  • Molecular FormulaC22H20Cl2N2O8
  • Average mass511.309 Da
  • Monoisotopic mass510.059662 Da
  • ChemSpider ID21254625

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Phénylacrylate de 2-{2-[(2,2-dichloroacétyl)amino]-3-hydroxy-3-(4-nitrophényl)propoxy}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{2-[(Dichloracetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-2-oxoethyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-{2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy}-2-oxoethyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, 2-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-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: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.11
ACD/KOC (pH 5.5): 1555.75
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 201.93
ACD/KOC (pH 7.4): 1554.41
Polar Surface Area: 148 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement