ChemSpider 2D Image | 1-[1-(4-Chlorophenyl)-1-(4-fluorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole | C18H13ClFN3

1-[1-(4-Chlorophenyl)-1-(4-fluorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID28691347

More details:






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

1-[1-(4-Chlorophenyl)-1-(4-fluorophenyl)-3-butyn-1-yl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[1-(4-Chlorophényl)-1-(4-fluorophényl)-3-butyn-1-yl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-[1-(4-Chlorphenyl)-1-(4-fluorphenyl)-3-butin-1-yl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[1-(4-chlorophenyl)-1-(4-fluorophenyl)-3-butyn-1-yl]- [ACD/Index Name]
1-[1-(4-Chlorophenyl)-1-(4-fluorophenyl)but-3-yn-1-yl]-1H-1,2,4-triazole
1H-1,2,4-TRIAZOLE, 1-[1-(4-CHLOROPHENYL)-1-(4-FLUOROPHENYL)-3-BUTYNYL]-
88557-57-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 496.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1938.07
ACD/KOC (pH 5.5): 7845.74
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1939.05
ACD/KOC (pH 7.4): 7849.68
Polar Surface Area: 31 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

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