ChemSpider 2D Image | 3-{[3,5-Bis(trifluoromethyl)phenyl]ethynyl}-1H-indazole | C17H8F6N2

3-{[3,5-Bis(trifluoromethyl)phenyl]ethynyl}-1H-indazole

  • Molecular FormulaC17H8F6N2
  • Average mass354.249 Da
  • Monoisotopic mass354.059174 Da
  • ChemSpider ID26375908

More details:

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

1H-Indazole, 3-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]- [ACD/Index Name]
3-{[3,5-Bis(trifluormethyl)phenyl]ethinyl}-1H-indazol [German] [ACD/IUPAC Name]
3-{[3,5-Bis(trifluoromethyl)phenyl]ethynyl}-1H-indazole [ACD/IUPAC Name]
3-{[3,5-Bis(trifluorométhyl)phényl]éthynyl}-1H-indazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 205.2±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11302.97
ACD/KOC (pH 5.5): 27724.51
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11302.85
ACD/KOC (pH 7.4): 27724.21
Polar Surface Area: 29 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 235.5±5.0 cm3

Click to predict properties on the Chemicalize site


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