1-(4-Bromophenyl)-2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethanone C16H12BrN3O structure

Flashcard maker : Lily Taylor

Molecular Formula C16H12BrN3O
Average mass 342.190 Da
Density 1.5±0.1 g/cm3
Boiling Point 536.3±60.0 °C at 760 mmHg
Flash Point 278.1±32.9 °C
Molar Refractivity 87.1±0.5 cm3
Polarizability 34.5±0.5 10-24cm3
Surface Tension 52.1±7.0 dyne/cm
Molar Volume 234.7±7.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 536.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.1±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.50
ACD/KOC (pH 5.5): 1496.87
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.50
ACD/KOC (pH 7.4): 1496.87
Polar Surface Area: 48 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 234.7±7.0 cm3

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