ChemSpider 2D Image | 5-Bromo-2-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]benzonitrile | C14H14BrN5

5-Bromo-2-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]benzonitrile

  • Molecular FormulaC14H14BrN5
  • Average mass332.198 Da
  • Monoisotopic mass331.043243 Da
  • ChemSpider ID35172314

More details:

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

5-Brom-2-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]benzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]benzonitrile [ACD/IUPAC Name]
5-Bromo-2-[4-(4H-1,2,4-triazol-3-yl)-1-pipéridinyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-2-[4-(4H-1,2,4-triazol-3-yl)-1-piperidinyl]- [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: 551.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.62
ACD/KOC (pH 5.5): 353.87
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.83
ACD/KOC (pH 7.4): 356.72
Polar Surface Area: 69 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 208.6±5.0 cm3

Click to predict properties on the Chemicalize site


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