ChemSpider 2D Image | 5-[(1E)-3-(2,5-Dichlorophenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 3-methyl-2-thiophenecarboxylate | C22H16Cl2O4S

5-[(1E)-3-(2,5-Dichlorophenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 3-methyl-2-thiophenecarboxylate

  • Molecular FormulaC22H16Cl2O4S
  • Average mass447.331 Da
  • Monoisotopic mass446.014648 Da
  • ChemSpider ID126769862

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Thiophenecarboxylic acid, 3-methyl-, 5-[(1E)-3-(2,5-dichlorophenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester [ACD/Index Name]
3-Méthyl-2-thiophènecarboxylate de 5-[(1E)-3-(2,5-dichlorophényl)-3-oxo-1-propén-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
5-[(1E)-3-(2,5-Dichlorophenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl 3-methyl-2-thiophenecarboxylate [ACD/IUPAC Name]
5-[(1E)-3-(2,5-Dichlorphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl-3-methyl-2-thiophencarboxylat [German] [ACD/IUPAC 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: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22595.13
ACD/KOC (pH 5.5): 45518.69
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22595.13
ACD/KOC (pH 7.4): 45518.69
Polar Surface Area: 81 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 326.9±3.0 cm3

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