ChemSpider 2D Image | 3-Chloro-N-[7-fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2-dimethylpropanamide | C16H16ClFN2O3

3-Chloro-N-[7-fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2-dimethylpropanamide

  • Molecular FormulaC16H16ClFN2O3
  • Average mass338.761 Da
  • Monoisotopic mass338.083344 Da
  • ChemSpider ID21130387

More details:

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

3-Chlor-N-[7-fluor-3-oxo-4-(2-propin-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
3-Chloro-N-[7-fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2-dimethylpropanamide [ACD/IUPAC Name]
3-Chloro-N-[7-fluoro-3-oxo-4-(2-propyn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-chloro-N-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-2,2-dimethyl- [ACD/Index 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: 600.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.0±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 20.32
ACD/KOC (pH 5.5): 268.05
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 7.08
ACD/KOC (pH 7.4): 93.36
Polar Surface Area: 62 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 264.7±7.0 cm3

Click to predict properties on the Chemicalize site


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