ChemSpider 2D Image | 1-(5-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole | C9H7BrClN3

1-(5-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole

  • Molecular FormulaC9H7BrClN3
  • Average mass272.529 Da
  • Monoisotopic mass270.951172 Da
  • ChemSpider ID30471431

More details:

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

1-(5-Brom-2-chlorbenzyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-(5-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-(5-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[(5-bromo-2-chlorophenyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 406.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 61.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.59
ACD/KOC (pH 5.5): 812.40
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.73
ACD/KOC (pH 7.4): 813.73
Polar Surface Area: 31 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 162.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement