ChemSpider 2D Image | rel-(1R,4S,4aR,8bS)-2,3-Dibromo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene | C13H10Br2

rel-(1R,4S,4aR,8bS)-2,3-Dibromo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene

  • Molecular FormulaC13H10Br2
  • Average mass326.026 Da
  • Monoisotopic mass323.914917 Da
  • ChemSpider ID74098211

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,9R,10S)-11,12-Dibromotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene [ACD/IUPAC Name]
(1R,2S,9R,10S)-11,12-Dibromotétracyclo[8.2.1.02,9.03,8]tridéca-3,5,7,11-tétraène [French] [ACD/IUPAC Name]
(1R,2S,9R,10S)-11,12-Dibromtetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraen [German] [ACD/IUPAC Name]
499774-50-4 [RN]
rel-(1R,4S,4aR,8bS)-2,3-Dibromo-1,4,4a,8b-tetrahydro-1,4-methanobiphenylene
Tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene, 11,12-dibromo-, (1R,2S,9R,10S)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 359.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 199.6±27.1 °C
Index of Refraction: 1.737
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2071.12
ACD/KOC (pH 5.5): 8228.80
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2071.12
ACD/KOC (pH 7.4): 8228.80
Polar Surface Area: 0 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

Click to predict properties on the Chemicalize site


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