(S)-Cyano(3-Phenoxyphenyl)Methyl (1R,3S)-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 [(s)-cyano-(3-phenoxyphenyl)methyl] (1r,3s)-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 -818.4 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 502.71 Å 3
Surface Area 379.16 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1r,3s)-3-[(z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-[(z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
InChIKey ZXQYGBMAQZUVMI-KJLJINFSSA-N
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Elements C F H Cl O N