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Search term: NRQXMXZGXTUUQP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl 4-oxo-1-(2-propyn-1-yl)-7-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate | C16H12F3NO3

Ethyl 4-oxo-1-(2-propyn-1-yl)-7-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate

  • Molecular FormulaC16H12F3NO3
  • Average mass323.267 Da
  • Monoisotopic mass323.076935 Da
  • ChemSpider ID30836252

More details:

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

3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-1-(2-propyn-1-yl)-7-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4-Oxo-1-(2-propyn-1-yl)-7-(trifluorométhyl)-1,4-dihydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-oxo-1-(2-propyn-1-yl)-7-(trifluoromethyl)-1,4-dihydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-1-(2-propin-1-yl)-7-(trifluormethyl)-1,4-dihydro-3-chinolincarboxylat [German] [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: 396.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 193.8±27.9 °C
Index of Refraction: 1.528
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.21
ACD/KOC (pH 5.5): 707.46
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.21
ACD/KOC (pH 7.4): 707.46
Polar Surface Area: 47 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 240.6±3.0 cm3

Click to predict properties on the Chemicalize site


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