(1S,2R)-3-Bromo-3,5-Cyclohexadiene-1,2-Diol

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Properties Simple | Detailed

Formula C6H7BrO2
IUPAC Name (1s,2r)-3-bromocyclohexa-3,5-diene-1,2-diol
Molecular Mass 191.023 g·mol−1
Heat of Formation -245.6 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 165.05 Å 3
Surface Area 164.16 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey KLPGXZKAVBGFGF-WDSKDSINSA-N
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Elements H C O Br