ChemSpider 2D Image | 4-{[(6-Bromo-2-naphthyl)oxy]methyl}-1-(4-nitrobenzyl)-1H-1,2,3-triazole | C20H15BrN4O3

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

  • Molecular FormulaC20H15BrN4O3
  • Average mass439.262 Da
  • Monoisotopic mass438.032745 Da
  • ChemSpider ID76723430

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-[(4-nitrophenyl)methyl]- [ACD/Index Name]
4-{[(6-Brom-2-naphthyl)oxy]methyl}-1-(4-nitrobenzyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-{[(6-Bromo-2-naphthyl)oxy]methyl}-1-(4-nitrobenzyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-{[(6-Bromo-2-naphtyl)oxy]méthyl}-1-(4-nitrobenzyl)-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: 1.5±0.1 g/cm3
Boiling Point: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3887.24
ACD/KOC (pH 5.5): 12913.95
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3887.26
ACD/KOC (pH 7.4): 12914.00
Polar Surface Area: 86 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

Click to predict properties on the Chemicalize site


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