Found 2 results

Search term: YLMHJBBTEPYSIN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 4-chloro-5-[(Z)-(cyclohexylimino)methyl]-3-methyl-1-benzofuran-2-carboxylate | C19H22ClNO3

Ethyl 4-chloro-5-[(Z)-(cyclohexylimino)methyl]-3-methyl-1-benzofuran-2-carboxylate

  • Molecular FormulaC19H22ClNO3
  • Average mass347.836 Da
  • Monoisotopic mass347.128815 Da
  • ChemSpider ID22824268

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Benzofurancarboxylic acid, 4-chloro-5-[(Z)-(cyclohexylimino)methyl]-3-methyl-, ethyl ester [ACD/Index Name]
4-Chloro-5-[(Z)-(cyclohexylimino)méthyl]-3-méthyl-1-benzofurane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-chloro-5-[(Z)-(cyclohexylimino)methyl]-3-methyl-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-chlor-5-[(Z)-(cyclohexylimino)methyl]-3-methyl-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-chloro-5-[(cyclohexylimino)methyl]-3-methyl-1-benzofuran-2-carboxylate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.8±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15217.71
ACD/KOC (pH 5.5): 33571.37
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16398.20
ACD/KOC (pH 7.4): 36175.61
Polar Surface Area: 52 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 275.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement