Tris(2,4-Dibromo-6-Methylphenyl) 1,2,3-Propanetricarboxylate

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Properties Simple | Detailed

Formula C26H18Br6O6
IUPAC Name [3,5-dibromo-4-[4-bromo-2-(bromomethyl)-3-oxo-pent-4-enyl]-2-bicyclo[4.1.0]hepta-1(6),2,4-trienyl] 3-(5,6-dibromo-5,5a-dihydro-4bh-cyclopropa[1,2]cyclopenta[3,5-b][1,3]dioxin-2-yl)-5-hydroxy-pent-4-ynoate
Molecular Mass 905.842 g·mol−1
Heat of Formation 2202.0 ± 16.7 kJ·mol−1
Dipole Moment 12.53 ± 1.08 D
Volume 620.98 Å 3
Surface Area 464.75 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3-tris(2,4-dibromo-6-methyl-phenyl) propane-1,2,3-tricarboxylate
  • 1,2,3-tris(2,4-dibromo-6-methylphenyl) propane-1,2,3-tricarboxylate
  • 3br2sal tricarballylate
  • tris(3,5-dibromosalicyl) tricarballylate
CAS Number(s)
  • 137656-90-7
InChIKey UULZLBSSZGWLMA-UHFFFAOYSA-N
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Elements C O Br