ChemSpider 2D Image | Ethyl 5-chloro-3-(4-morpholinylmethyl)-1-benzofuran-2-carboxylate | C16H18ClNO4

Ethyl 5-chloro-3-(4-morpholinylmethyl)-1-benzofuran-2-carboxylate

  • Molecular FormulaC16H18ClNO4
  • Average mass323.771 Da
  • Monoisotopic mass323.092438 Da
  • ChemSpider ID21687315

More details:






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

2-Benzofurancarboxylic acid, 5-chloro-3-(4-morpholinylmethyl)-, ethyl ester [ACD/Index Name]
5-Chloro-3-(4-morpholinylméthyl)-1-benzofurane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-chloro-3-(4-morpholinylmethyl)-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-chlor-3-(4-morpholinylmethyl)-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-CHLORO-3-(MORPHOLIN-4-YLMETHYL)-1-BENZOFURAN-2-CARBOXYLATE
ETHYL 5-CHLORO-3-[(MORPHOLIN-4-YL)METHYL]-1-BENZOFURAN-2-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 440.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.5±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 78.55
ACD/KOC (pH 5.5): 686.34
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.34
ACD/KOC (pH 7.4): 1121.44
Polar Surface Area: 52 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 250.1±3.0 cm3

Click to predict properties on the Chemicalize site






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