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

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Properties Simple | Detailed

Formula C6H9BrO
IUPAC Name (1s,5r,6s)-5-bromo-7-oxabicyclo[4.1.0]heptane
Molecular Mass 177.039 g·mol−1
Heat of Formation -98.2 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 157.63 Å 3
Surface Area 157.04 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey VCXQSVOFNLPVQU-NGJCXOISSA-N
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Elements H C O Br