(1R,2S,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C8H4Cl6O2
IUPAC Name (1s,4r,5s)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5-carboxylic acid
Molecular Mass 344.834 g·mol−1
Heat of Formation -464.2 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 297.79 Å 3
Surface Area 240.29 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s,6s)-1,2,3,4,7,7-hexachloro-6-bicyclo[2.2.1]hept-2-enecarboxylic acid
  • (1r,4s,6s)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-6-carboxylic acid
  • 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2-carboxylic acid
  • bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1,4,5,6,7,7-hexachloro-, endo-(+)-
  • hbheca
CAS Number(s)
  • 115565-70-3
InChIKey UZNJCXPVWJLOQY-CFHWFIACSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl