ChemSpider 2D Image | 5-Bromo-2-{[2-(1H-1,2,4-triazol-3-yl)ethyl]amino}benzonitrile | C11H10BrN5

5-Bromo-2-{[2-(1H-1,2,4-triazol-3-yl)ethyl]amino}benzonitrile

  • Molecular FormulaC11H10BrN5
  • Average mass292.135 Da
  • Monoisotopic mass291.011963 Da
  • ChemSpider ID30137397

More details:

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

5-Brom-2-{[2-(1H-1,2,4-triazol-3-yl)ethyl]amino}benzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-{[2-(1H-1,2,4-triazol-3-yl)ethyl]amino}benzonitrile [ACD/IUPAC Name]
5-Bromo-2-{[2-(1H-1,2,4-triazol-3-yl)éthyl]amino}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-2-[[2-(4H-1,2,4-triazol-3-yl)ethyl]amino]- [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: 533.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.2±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.57
ACD/KOC (pH 5.5): 224.65
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.66
ACD/KOC (pH 7.4): 226.09
Polar Surface Area: 77 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 179.1±5.0 cm3

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