3,6-Dichloro-4-[(3E)-4-Chloro-3-Methyl-3-Buten-1-Yn-1-Yl]-5-Hydroxy-1,2-Benzoquinone

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Properties Simple | Detailed

Formula C11H5Cl3O3
IUPAC Name 3,6-dichloro-4-[(e)-4-chloro-3-methyl-but-3-en-1-ynyl]-5-hydroxy-1,2-benzoquinone
Molecular Mass 291.515 g·mol−1
Heat of Formation -125.0 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 292.02 Å 3
Surface Area 273.02 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2,5-dichloro-3-(4-chloro-3-methyl-3-buten-1-ynyl)-6-hydroxy-2,5-cyclohexadiene-1,4-dione
  • 2,5-cyclohexadiene-1,4-dione, 2,5-dichloro-3-(4-chloro-3-methyl-3-buten-1-ynyl)-6-hydroxy-, (e)-
  • 3,6-dichloro-4-[(e)-4-chloro-3-methyl-but-3-en-1-ynyl]-5-hydroxy-1,2-benzoquinone
  • 3,6-dichloro-4-[(e)-4-chloro-3-methyl-but-3-en-1-ynyl]-5-hydroxy-cyclohexa-3,5-diene-1,2-dione
  • 3,6-dichloro-4-[(e)-4-chloro-3-methyl-but-3-en-1-ynyl]-5-hydroxy-o-benzoquinone
  • 3,6-dichloro-4-[(e)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxy-1,2-benzoquinone
  • 3,6-dichloro-4-[(e)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione
  • mycenon
CAS Number(s)
  • 131651-40-6
InChIKey DHXRSIONKUJHQE-SNAWJCMRSA-N
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