Found 1785 results

Search term: MF = 'C_{14}H_{15}BrFN_{3}'
ChemSpider 2D Image | 1-(4-Bromo-3-fluorobenzyl)-3-cyclobutyl-5-methyl-1H-1,2,4-triazole | C14H15BrFN3

1-(4-Bromo-3-fluorobenzyl)-3-cyclobutyl-5-methyl-1H-1,2,4-triazole

  • Molecular FormulaC14H15BrFN3
  • Average mass324.191 Da
  • Monoisotopic mass323.043335 Da
  • ChemSpider ID29800055

More details:

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

1-(4-Brom-3-fluorbenzyl)-3-cyclobutyl-5-methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-(4-Bromo-3-fluorobenzyl)-3-cyclobutyl-5-methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
1-(4-Bromo-3-fluorobenzyl)-3-cyclobutyl-5-méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[(4-bromo-3-fluorophenyl)methyl]-3-cyclobutyl-5-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 465.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.5±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 76.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 405.57
ACD/KOC (pH 5.5): 2551.88
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 410.79
ACD/KOC (pH 7.4): 2584.74
Polar Surface Area: 31 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 207.3±7.0 cm3

Click to predict properties on the Chemicalize site


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