5'-Hydroxyisoavrainvilleol

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Properties Simple | Detailed

Formula C14H12Br2O5
IUPAC Name 3-bromo-4-[(3-bromo-4,5-dihydroxy-phenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
Molecular Mass 420.050 g·mol−1
Heat of Formation -719.1 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 352.34 Å 3
Surface Area 305.46 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 3-bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)-
  • 3-bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)-1,2-benzenediol
  • 3-bromo-4-(3-bromo-4,5-dihydroxy-benzyl)-5-methylol-pyrocatechol
  • 3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
  • 5-hydroxyisoavrainvilleol
CAS Number(s)
  • 111537-53-2
InChIKey SEXYDDXUERLOFL-UHFFFAOYSA-N
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Elements H C O Br