ChemSpider 2D Image | 3,5-Dibromo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-1,2,4-triazole | C13H15Br2N3

3,5-Dibromo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-1,2,4-triazole

  • Molecular FormulaC13H15Br2N3
  • Average mass373.086 Da
  • Monoisotopic mass370.963257 Da
  • ChemSpider ID29809235

More details:

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

1H-1,2,4-Triazole, 3,5-dibromo-1-[[4-(1,1-dimethylethyl)phenyl]methyl]- [ACD/Index Name]
3,5-Dibrom-1-[4-(2-methyl-2-propanyl)benzyl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3,5-Dibromo-1-[4-(2-methyl-2-propanyl)benzyl]-1H-1,2,4-triazole [ACD/IUPAC Name]
3,5-Dibromo-1-[4-(2-méthyl-2-propanyl)benzyl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1240568-59-5 [RN]
3,5-dibromo-1-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazole
atoms 18 bonds 19
MFCD16811189

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

Density: 1.6±0.1 g/cm3
Boiling Point: 453.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±29.6 °C
Index of Refraction: 1.626
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3251.28
ACD/KOC (pH 5.5): 11363.79
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3251.28
ACD/KOC (pH 7.4): 11363.79
Polar Surface Area: 31 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 233.0±7.0 cm3

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