3-Phenoxybenzyl (1R,3S)-3-(2,2-Dibromovinyl)-2,2-Dimethylcyclopropanecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20Br2O3
IUPAC Name (3-phenoxyphenyl)methyl (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate
Molecular Mass 480.190 g·mol−1
Heat of Formation -213.5 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 465.07 Å 3
Surface Area 360.35 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [3-(phenoxy)phenyl]methyl ester
  • (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid [3-(phenoxy)benzyl] ester
  • [3-(phenoxy)phenyl]methyl (1r,3s)-3-(2,2-dibromoethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate
  • [3-(phenoxy)phenyl]methyl (1r,3s)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
  • [3-(phenoxy)phenyl]methyl (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylate
CAS Number(s)
  • 55667-38-4
InChIKey GNJFNKNVSCTPDC-MJGOQNOKSA-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