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Search term: GLBUVYUXTHJPPN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{2-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1H-1,2,4-triazole | C12H9F6N3O

1-{2-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1H-1,2,4-triazole

  • Molecular FormulaC12H9F6N3O
  • Average mass325.210 Da
  • Monoisotopic mass325.064972 Da
  • ChemSpider ID70791719

More details:

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

1-{2-[3,5-Bis(trifluormethyl)phenoxy]ethyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-{2-[3,5-Bis(trifluoromethyl)phenoxy]ethyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-{2-[3,5-Bis(trifluorométhyl)phénoxy]éthyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]- [ACD/Index 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: 344.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 162.0±30.7 °C
Index of Refraction: 1.488
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.88
ACD/KOC (pH 5.5): 1667.54
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.37
ACD/KOC (pH 7.4): 1671.22
Polar Surface Area: 40 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 31.9±7.0 dyne/cm
Molar Volume: 223.7±7.0 cm3

Click to predict properties on the Chemicalize site


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