(R)-Cyano(3-Phenoxyphenyl)Methyl (1R,3R)-3-[(1Z)-2-Chloro-3,3,3-Trifluoro-1-Propen-1-Yl]-2,2-Dimethylcyclopropanecarboxylate

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Properties Simple | Detailed

Formula C23H19ClF3NO3
IUPAC Name [(r)-cyano-(3-phenoxyphenyl)methyl] (1r,3r)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
Molecular Mass 449.850 g·mol−1
Heat of Formation -824.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 495.28 Å 3
Surface Area 374.78 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(r)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1r,3r)-3-[(z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(r)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(r)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3r)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
  • cyclopropanecarboxylic acid, 3-((1z)-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (r)-cyano(3-phenoxyphenyl)methyl ester, (1r,3r)-
CAS Number(s)
  • 76703-63-4
InChIKey ZXQYGBMAQZUVMI-XJEXQDGXSA-N
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