ChemSpider 2D Image | 8-Bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-1H-[1,2,3]triazolo[4,5-c]quinoline | C17H12BrFN4

8-Bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-1H-[1,2,3]triazolo[4,5-c]quinoline

  • Molecular FormulaC17H12BrFN4
  • Average mass371.206 Da
  • Monoisotopic mass370.022919 Da
  • ChemSpider ID76802153

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Triazolo[4,5-c]quinoline, 8-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]- [ACD/Index Name]
8-Brom-1-[(1S)-1-(4-fluorphenyl)ethyl]-1H-[1,2,3]triazolo[4,5-c]chinolin [German] [ACD/IUPAC Name]
8-Bromo-1-[(1S)-1-(4-fluorophényl)éthyl]-1H-[1,2,3]triazolo[4,5-c]quinoléine [French] [ACD/IUPAC Name]
8-Bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-1H-[1,2,3]triazolo[4,5-c]quinoline [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 542.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 281.8±28.7 °C
Index of Refraction: 1.715
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1047.76
ACD/KOC (pH 5.5): 4982.10
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1100.06
ACD/KOC (pH 7.4): 5230.77
Polar Surface Area: 44 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 231.7±7.0 cm3

Click to predict properties on the Chemicalize site


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