ChemSpider 2D Image | 1-(3-Chloro-4-fluorophenyl)-4-(1H-pyrazol-1-ylmethyl)-1H-1,2,3-triazole | C12H9ClFN5

1-(3-Chloro-4-fluorophenyl)-4-(1H-pyrazol-1-ylmethyl)-1H-1,2,3-triazole

  • Molecular FormulaC12H9ClFN5
  • Average mass277.685 Da
  • Monoisotopic mass277.053040 Da
  • ChemSpider ID35279097

More details:

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

1-(3-Chlor-4-fluorphenyl)-4-(1H-pyrazol-1-ylmethyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-(3-Chloro-4-fluorophenyl)-4-(1H-pyrazol-1-ylmethyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
1-(3-Chloro-4-fluorophényl)-4-(1H-pyrazol-1-ylméthyl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 1-(3-chloro-4-fluorophenyl)-4-(1H-pyrazol-1-ylmethyl)- [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: 476.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.7±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.46
ACD/KOC (pH 5.5): 363.01
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.47
ACD/KOC (pH 7.4): 363.05
Polar Surface Area: 49 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 188.2±7.0 cm3

Click to predict properties on the Chemicalize site


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