ChemSpider 2D Image | (1R,2S,3R,5R,6S)-7,7-Dibromotetracyclo[4.1.0.0~2,4~.0~3,5~]heptane | C7H6Br2

(1R,2S,3R,5R,6S)-7,7-Dibromotetracyclo[4.1.0.02,4.03,5]heptane

  • Molecular FormulaC7H6Br2
  • Average mass249.930 Da
  • Monoisotopic mass247.883606 Da
  • ChemSpider ID74099535

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,3R,5R,6S)-7,7-Dibromotetracyclo[4.1.0.02,4.03,5]heptane [ACD/IUPAC Name]
(1R,2S,3R,5R,6S)-7,7-Dibromotétracyclo[4.1.0.02,4.03,5]heptane [French] [ACD/IUPAC Name]
(1R,2S,3R,5R,6S)-7,7-Dibromtetracyclo[4.1.0.02,4.03,5]heptan [German] [ACD/IUPAC Name]
Tetracyclo[4.1.0.02,4.03,5]heptane, 7,7-dibromo-, (1R,6S)- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 235.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 103.7±19.1 °C
Index of Refraction: 1.843
Molar Refractivity: 41.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.95
ACD/KOC (pH 5.5): 588.33
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.95
ACD/KOC (pH 7.4): 588.33
Polar Surface Area: 0 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 94.4±3.0 cm3

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