ChemSpider 2D Image | Ethyl (4-{2-cyano-2-[4-(4-iodophenyl)-1,3-thiazol-2-yl]vinyl}-2-methoxyphenoxy)acetate | C23H19IN2O4S

Ethyl (4-{2-cyano-2-[4-(4-iodophenyl)-1,3-thiazol-2-yl]vinyl}-2-methoxyphenoxy)acetate

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID3898142

More details:

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

(4-{2-Cyano-2-[4-(4-iodophényl)-1,3-thiazol-2-yl]vinyl}-2-méthoxyphénoxy)acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[2-cyano-2-[4-(4-iodophenyl)-2-thiazolyl]ethenyl]-2-methoxyphenoxy]-, ethyl ester [ACD/Index Name]
Ethyl (4-{2-cyano-2-[4-(4-iodophenyl)-1,3-thiazol-2-yl]vinyl}-2-methoxyphenoxy)acetate [ACD/IUPAC Name]
Ethyl-(4-{2-cyan-2-[4-(4-iodphenyl)-1,3-thiazol-2-yl]vinyl}-2-methoxyphenoxy)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5415.15
ACD/KOC (pH 5.5): 16372.33
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5415.15
ACD/KOC (pH 7.4): 16372.34
Polar Surface Area: 110 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 357.0±3.0 cm3

Click to predict properties on the Chemicalize site


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