ChemSpider 2D Image | (2E)-N-{4-[(4-Chlorobenzyl)oxy]phenyl}-3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanoacrylamide | C31H23Cl2N3O6

(2E)-N-{4-[(4-Chlorobenzyl)oxy]phenyl}-3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanoacrylamide

  • Molecular FormulaC31H23Cl2N3O6
  • Average mass604.437 Da
  • Monoisotopic mass603.096375 Da
  • ChemSpider ID81225677

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{4-[(4-Chlorbenzyl)oxy]phenyl}-3-{3-chlor-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanacrylamid [German] [ACD/IUPAC Name]
(2E)-N-{4-[(4-Chlorobenzyl)oxy]phenyl}-3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanoacrylamide [ACD/IUPAC Name]
(2E)-N-{4-[(4-Chlorobenzyl)oxy]phényl}-3-{3-chloro-5-méthoxy-4-[(4-nitrobenzyl)oxy]phényl}-2-cyanoacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-, (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: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 451.3±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89356.98
ACD/KOC (pH 5.5): 121784.84
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89252.85
ACD/KOC (pH 7.4): 121642.91
Polar Surface Area: 126 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 430.2±3.0 cm3

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