(3E,5R,6R,7E)-8-Bromo-5,6-Dichloro-2-(Chloromethyl)-1,3,7-Octatriene

Molecule SVG Image

Properties Simple | Detailed

Formula C9H10BrCl3
IUPAC Name (3e,5r,6r,7e)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene
Molecular Mass 304.439 g·mol−1
Heat of Formation -16.6 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 288.54 Å 3
Surface Area 248.91 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (r*,r*-(e,e))-(+)-8-bromo-5,6-dichloro-2-(chloromethyl)-1,3,7-octatriene
  • 1,3,7-octatriene, 8-bromo-5,6-dichloro-2-(chloromethyl)-, (r*,r*-(e,e))-(+)-
  • 1-bcdmo
  • 1-bromo-7-chloromethyl-3,4-dichloro-3-methyl-1,5,7-octatriene
CAS Number(s)
  • 133086-86-9
InChIKey VQSLPGQMLVUDDK-PTZKRIBWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br Cl