ChemSpider 2D Image | (2Z)-2-(2,4-Dichlorophenyl)-3-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}acrylonitrile | C23H15Cl2IN2O4

(2Z)-2-(2,4-Dichlorophenyl)-3-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}acrylonitrile

  • Molecular FormulaC23H15Cl2IN2O4
  • Average mass581.187 Da
  • Monoisotopic mass579.945374 Da
  • ChemSpider ID68327726

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(2,4-Dichlorophenyl)-3-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}acrylonitrile [ACD/IUPAC Name]
(2Z)-2-(2,4-Dichlorophényl)-3-{3-iodo-5-méthoxy-4-[(4-nitrobenzyl)oxy]phényl}acrylonitrile [French] [ACD/IUPAC Name]
(2Z)-2-(2,4-Dichlorphenyl)-3-{3-iod-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}acrylonitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 2,4-dichloro-α-[[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-, (αZ)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 143098.44
ACD/KOC (pH 5.5): 170600.70
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 143098.44
ACD/KOC (pH 7.4): 170600.70
Polar Surface Area: 88 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 352.4±3.0 cm3

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