ChemSpider 2D Image | 3-(4,5,6,7-Tetrabromo-1H-benzotriazol-1-yl)-1-propanol | C9H7Br4N3O

3-(4,5,6,7-Tetrabromo-1H-benzotriazol-1-yl)-1-propanol

  • Molecular FormulaC9H7Br4N3O
  • Average mass492.787 Da
  • Monoisotopic mass488.732239 Da
  • ChemSpider ID24689174

More details:

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

1H-1,2,3-Benzotriazole-1-propanol, 4,5,6,7-tetrabromo- [ACD/Index Name]
3-(4,5,6,7-Tetrabrom-1H-benzotriazol-1-yl)-1-propanol [German] [ACD/IUPAC Name]
3-(4,5,6,7-Tetrabromo-1H-benzotriazol-1-yl)-1-propanol [ACD/IUPAC Name]
3-(4,5,6,7-Tétrabromo-1H-benzotriazol-1-yl)-1-propanol [French] [ACD/IUPAC Name]
3-(4,5,6,7-Tetrabromo-1h-Benzotriazol-1-Yl)propan-1-Ol
4B0
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456634/

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

Density: 2.6±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.794
Molar Refractivity: 80.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 603.66
ACD/KOC (pH 5.5): 3404.81
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 603.66
ACD/KOC (pH 7.4): 3404.81
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 188.3±7.0 cm3

Click to predict properties on the Chemicalize site


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