Acrinathrin

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Properties Simple | Detailed

Formula C26H21F6NO5
IUPAC Name [(s)-cyano-[3-(phenoxy)benzene-4-id-1-yl]methyl] (1r,3s)-2,2-dimethyl-3-[(z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-enyl]cyclopropanecarboxylate
Molecular Mass 541.439 g·mol−1
Heat of Formation -128.9 ± 16.7 kJ·mol−1
Dipole Moment 8.36 ± 1.08 D
Volume 567.78 Å 3
Surface Area 427.33 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -3.94 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-2,2-dimethyl-3-[(z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-enyl]-1-cyclopropanecarboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1r,3s)-3-[(z)-3-keto-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (s)-cyano(3-phenoxyphenyl)methyl (1r,3s)-2,2-dimethyl-3-{(1z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-en-1-yl}cyclopropanecarboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-2,2-dimethyl-3-[(z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-enyl]cyclopropane-1-carboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-[(z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-[(z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
  • cy6clopropanecarboxylic acid, 2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester, (1r-(1alpha(s*),3alpha(z)))-
CAS Number(s)
  • 101007-06-1
InChIKey YLFSVIMMRPNPFK-WEQBUNFVSA-N
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