ChemSpider 2D Image | 8,9,9,10-Tetrabromo-1,7-dimethyl-5-phenyl-11-oxa-3,4,5-triazatetracyclo[5.3.1.0~2,6~.0~8,10~]undec-3-ene | C15H13Br4N3O

8,9,9,10-Tetrabromo-1,7-dimethyl-5-phenyl-11-oxa-3,4,5-triazatetracyclo[5.3.1.02,6.08,10]undec-3-ene

  • Molecular FormulaC15H13Br4N3O
  • Average mass570.899 Da
  • Monoisotopic mass566.779175 Da
  • ChemSpider ID4421708

More details:

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

4,6-Epoxycyclopropa[f]-1,2,3-benzotriazole, 4a,5,5,5a-tetrabromo-1,3a,4,4a,5,5a,6,6a-octahydro-4,6-dimethyl-1-phenyl- [ACD/Index Name]
8,9,9,10-Tetrabrom-1,7-dimethyl-5-phenyl-11-oxa-3,4,5-triazatetracyclo[5.3.1.02,6.08,10]undec-3-en [German] [ACD/IUPAC Name]
8,9,9,10-Tetrabromo-1,7-dimethyl-5-phenyl-11-oxa-3,4,5-triazatetracyclo[5.3.1.02,6.08,10]undec-3-ene [ACD/IUPAC Name]
8,9,9,10-Tétrabromo-1,7-diméthyl-5-phényl-11-oxa-3,4,5-triazatétracyclo[5.3.1.02,6.08,10]undéc-3-ène [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 472.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.6±31.5 °C
Index of Refraction: 1.834
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10193.35
ACD/KOC (pH 5.5): 25747.96
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10193.35
ACD/KOC (pH 7.4): 25747.96
Polar Surface Area: 37 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 74.4±7.0 dyne/cm
Molar Volume: 233.6±7.0 cm3

Click to predict properties on the Chemicalize site


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