(S)-Cyano(3-Phenoxyphenyl)Methyl (1R,3S)-2,2-Dimethyl-3-[(1R)-1,2,2,2-Tetrabromoethyl]Cyclopropanecarboxylate

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Formula C22H19Br4NO3
IUPAC Name [(s)-cyano-(3-phenoxyphenyl)methyl] (1r,3s)-2,2-dimethyl-3-[(1r)-1,2,2,2-tetrabromoethyl]cyclopropanecarboxylate
Molecular Mass 665.007 g·mol−1
Heat of Formation -92.7 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 561.9 Å 3
Surface Area 436.47 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-2,2-dimethyl-3-[(1r)-1,2,2,2-tetrabromoethyl]-1-cyclopropanecarboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1r,3s)-2,2-dimethyl-3-[(1r)-1,2,2,2-tetrabromoethyl]cyclopropane-1-carboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-2,2-dimethyl-3-[(1r)-1,2,2,2-tetrabromoethyl]cyclopropane-1-carboxylate
InChIKey YWSCPYYRJXKUDB-AKHDSKFASA-N
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Elements H C O Br N