ChemSpider 2D Image | 1,8-Dibromo-17-cyclohexyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | C24H21Br2NO2

1,8-Dibromo-17-cyclohexyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

  • Molecular FormulaC24H21Br2NO2
  • Average mass515.237 Da
  • Monoisotopic mass512.993896 Da
  • ChemSpider ID3361012

More details:

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

1,8-Dibrom-17-cyclohexyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16,18-dion [German] [ACD/IUPAC Name]
1,8-Dibromo-17-cyclohexyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione [ACD/IUPAC Name]
1,8-Dibromo-17-cyclohexyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaène-16,18-dione [French] [ACD/IUPAC 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: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.718
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28281.77
ACD/KOC (pH 5.5): 53453.17
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28281.77
ACD/KOC (pH 7.4): 53453.17
Polar Surface Area: 37 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

Click to predict properties on the Chemicalize site


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