ChemSpider 2D Image | 5-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-1,2,4-triazole | C13H11ClFN5

5-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-1,2,4-triazole

  • Molecular FormulaC13H11ClFN5
  • Average mass291.711 Da
  • Monoisotopic mass291.068695 Da
  • ChemSpider ID29669623

More details:

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

1269054-49-0 [RN]
1H-1,2,4-Triazole, 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-1-(4-fluorophenyl)-3-methyl- [ACD/Index Name]
5-[(4-Chlor-1H-pyrazol-1-yl)methyl]-1-(4-fluorphenyl)-3-methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-[(4-Chloro-1H-pyrazol-1-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
5-[(4-Chloro-1H-pyrazol-1-yl)méthyl]-1-(4-fluorophényl)-3-méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC 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: 481.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.1±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.51
ACD/KOC (pH 5.5): 518.13
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.52
ACD/KOC (pH 7.4): 518.32
Polar Surface Area: 49 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

Click to predict properties on the Chemicalize site


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