(1R,2S,6R)-2-Bromo-7-Oxabicyclo[4.1.0]Heptane

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Properties Simple | Detailed

Formula C6H9BrO
IUPAC Name (1r,5s,6r)-5-bromo-7-oxabicyclo[4.1.0]heptane
Molecular Mass 177.039 g·mol−1
Heat of Formation -98.1 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 158.25 Å 3
Surface Area 157.27 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-7-oxabicyclo(4.1.0)heptane (1alpha,2beta,6alpha)-
  • 7-oxabicyclo(4.1.0)heptane, 2-bromo-, (1alpha,2beta,6alpha)-
CAS Number(s)
  • 56421-05-7
InChIKey VCXQSVOFNLPVQU-JKUQZMGJSA-N
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Elements H C O Br