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

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Properties Simple | Detailed

Formula C6H9BrO
IUPAC Name (1r,5r,6r)-5-bromo-7-oxabicyclo[4.1.0]heptane
Molecular Mass 177.039 g·mol−1
Heat of Formation -100.2 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 158.26 Å 3
Surface Area 156.04 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-trans-3-bromo-1,2-epoxycyclohexane
  • 2-bromo-7-oxabicyclo(4.1.0)heptane (1alpha,2alpha,6alpha)-
  • 3-bromo-1,2-epoxycyclohexane
  • 7-oxabicyclo(4.1.0)heptane, 2-bromo-, (1alpha,2alpha,6alpha)-
  • 7-oxabicyclo(4.1.0)heptane, 2-bromo-, (1alpha,2alpha,6alpha)-(+-)-
  • b-1,2-ech
CAS Number(s)
  • 56421-06-8
  • 80126-17-6
InChIKey VCXQSVOFNLPVQU-PBXRRBTRSA-N
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Elements H C O Br