ChemSpider 2D Image | 4-[5-Fluoro-2-(1H-imidazol-1-yl)phenyl]-4H-1,2,4-triazole | C11H8FN5

4-[5-Fluoro-2-(1H-imidazol-1-yl)phenyl]-4H-1,2,4-triazole

  • Molecular FormulaC11H8FN5
  • Average mass229.213 Da
  • Monoisotopic mass229.076370 Da
  • ChemSpider ID29624896

More details:

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

4-[5-Fluor-2-(1H-imidazol-1-yl)phenyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-[5-Fluoro-2-(1H-imidazol-1-yl)phenyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
4-[5-Fluoro-2-(1H-imidazol-1-yl)phényl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-[5-fluoro-2-(1H-imidazol-1-yl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.6±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 62.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 40.26
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.94
Polar Surface Area: 49 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 162.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement