ChemSpider 2D Image | 4-{[(6-Bromo-2-naphthyl)oxy]methyl}-1-isobutyl-1H-1,2,3-triazole | C17H18BrN3O

4-{[(6-Bromo-2-naphthyl)oxy]methyl}-1-isobutyl-1H-1,2,3-triazole

  • Molecular FormulaC17H18BrN3O
  • Average mass360.248 Da
  • Monoisotopic mass359.063324 Da
  • ChemSpider ID76741076

More details:

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

1H-1,2,3-Triazole, 4-[[(6-bromo-2-naphthalenyl)oxy]methyl]-1-(2-methylpropyl)- [ACD/Index Name]
4-{[(6-Brom-2-naphthyl)oxy]methyl}-1-isobutyl-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-{[(6-Bromo-2-naphthyl)oxy]methyl}-1-isobutyl-1H-1,2,3-triazole [ACD/IUPAC Name]
4-{[(6-Bromo-2-naphtyl)oxy]méthyl}-1-isobutyl-1H-1,2,3-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: 501.1±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±30.9 °C
Index of Refraction: 1.630
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2212.04
ACD/KOC (pH 5.5): 8625.78
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2212.07
ACD/KOC (pH 7.4): 8625.88
Polar Surface Area: 40 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 258.3±7.0 cm3

Click to predict properties on the Chemicalize site


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