ChemSpider 2D Image | Methyl (2E)-3-[4-(allyloxy)-3-iodo-5-methoxyphenyl]-2-cyanoacrylate | C15H14INO4

Methyl (2E)-3-[4-(allyloxy)-3-iodo-5-methoxyphenyl]-2-cyanoacrylate

  • Molecular FormulaC15H14INO4
  • Average mass399.180 Da
  • Monoisotopic mass398.996735 Da
  • ChemSpider ID34560215

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Allyloxy)-3-iodo-5-méthoxyphényl]-2-cyanoacrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-[3-iodo-5-methoxy-4-(2-propen-1-yloxy)phenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-[4-(allyloxy)-3-iodo-5-methoxyphenyl]-2-cyanoacrylate [ACD/IUPAC Name]
Methyl-(2E)-3-[4-(allyloxy)-3-iod-5-methoxyphenyl]-2-cyanacrylat [German] [ACD/IUPAC Name]
methyl (2E)-2-cyano-3-[3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]prop-2-enoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 502.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.59
ACD/KOC (pH 5.5): 1585.87
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.59
ACD/KOC (pH 7.4): 1585.87
Polar Surface Area: 69 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site


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