ChemSpider 2D Image | 2,2'-[4-(4-Bromophenyl)-4H-1,2,4-triazole-3,5-diyl]dipyridine | C18H12BrN5

2,2'-[4-(4-Bromophenyl)-4H-1,2,4-triazole-3,5-diyl]dipyridine

  • Molecular FormulaC18H12BrN5
  • Average mass378.225 Da
  • Monoisotopic mass377.027588 Da
  • ChemSpider ID21137016

More details:

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

2,2'-[4-(4-Bromophenyl)-4H-1,2,4-triazole-3,5-diyl]dipyridine [ACD/IUPAC Name]
2,2'-[4-(4-Bromophényl)-4H-1,2,4-triazole-3,5-diyl]dipyridine [French] [ACD/IUPAC Name]
2,2'-[4-(4-Bromphenyl)-4H-1,2,4-triazol-3,5-diyl]dipyridin [German] [ACD/IUPAC Name]
Pyridine, 2,2'-[4-(4-bromophenyl)-4H-1,2,4-triazole-3,5-diyl]bis- [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: 587.7±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.2±32.3 °C
Index of Refraction: 1.721
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1108.79
ACD/KOC (pH 5.5): 5261.42
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1108.80
ACD/KOC (pH 7.4): 5261.44
Polar Surface Area: 56 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

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