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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H20Br6O6
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 919.868 g·mol−1
Heat of Formation -770.6 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 717.53 Å 3
Surface Area 530.08 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.10 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br