(R)-Cyano(3-Phenoxyphenyl)Methyl (1S,3S)-3-(2,2-Dibromovinyl)-2,2-Dimethylcyclopropanecarboxylate

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Formula C22H19Br2NO3
IUPAC Name [(r)-cyano-(3-phenoxyphenyl)methyl] (1s,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate
Molecular Mass 505.199 g·mol−1
Heat of Formation -55.2 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 489.32 Å 3
Surface Area 365.52 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(r)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1s,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid [(r)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(r)-cyano-[3-(phenoxy)phenyl]methyl] (1s,3s)-3-(2,2-dibromoethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate
  • [(r)-cyano-[3-(phenoxy)phenyl]methyl] (1s,3s)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
  • [(r)-cyano-[3-(phenoxy)phenyl]methyl] (1s,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylate
  • cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (r)-cyano(3-phenoxyphenyl)methyl ester, (1s,3s)-rel-
CAS Number(s)
  • 80845-12-1
InChIKey OWZREIFADZCYQD-WSTZPKSXSA-N
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Elements H C O Br N