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Search term: DQKLFXSNVAGGLB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 2,2':6',2''-terpyridin-4'-ylacetate | C19H17N3O2

Ethyl 2,2':6',2''-terpyridin-4'-ylacetate

  • Molecular FormulaC19H17N3O2
  • Average mass319.357 Da
  • Monoisotopic mass319.132080 Da
  • ChemSpider ID35519161

More details:

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

[2,2':6',2''-Terpyridine]-4'-acetic acid, ethyl ester [ACD/Index Name]
2,2':6',2''-Terpyridin-4'-ylacétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2,2':6',2''-terpyridin-4'-ylacetate [ACD/IUPAC Name]
Ethyl-2,2':6',2''-terpyridin-4'-ylacetat [German] [ACD/IUPAC Name]
207804-49-7 [RN]
Ethyl 2,2':6',2''-terpyridine-4'-acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±27.3 °C
Index of Refraction: 1.586
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 90.91
ACD/KOC (pH 5.5): 856.75
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.06
ACD/KOC (pH 7.4): 933.55
Polar Surface Area: 65 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 269.0±3.0 cm3

Click to predict properties on the Chemicalize site


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