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Search term: BTQRQVYPQFPFPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 12',13'-Dibromospiro[1,3-dioxolane-2,3'-tricyclo[4.4.4.0~1,6~]tetradeca[4,8]diene] | C16H20Br2O2

12',13'-Dibromospiro[1,3-dioxolane-2,3'-tricyclo[4.4.4.01,6]tetradeca[4,8]diene]

  • Molecular FormulaC16H20Br2O2
  • Average mass404.137 Da
  • Monoisotopic mass401.983002 Da
  • ChemSpider ID21613201

More details:

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

12',13'-Dibromospiro[1,3-dioxolane-2,3'-tricyclo[4.4.4.01,6]tetradeca[4,8]diene] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 460.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 191.7±27.2 °C
Index of Refraction: 1.625
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 657.14
ACD/KOC (pH 5.5): 3618.10
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 657.14
ACD/KOC (pH 7.4): 3618.10
Polar Surface Area: 18 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 245.3±5.0 cm3

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