(E)-3-(2-Chloro-4-((3-(2,6-Dichlorophenyl)-5-Isopropylisoxazol-4-Yl)Methoxy)Styryl)Benzoic Acid

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Properties Simple | Detailed

Formula C25H16Cl3NO4
IUPAC Name 4-[[3-chloro-4-[[2-(dioxiran-3-ylidenemethylene)cyclopropylidene]methylene]cyclohexa-2,5-dien-1-yl]oxymethyl]-3-(2,6-dichlorophenyl)-5-isopropenyl-isoxazole
Molecular Mass 500.758 g·mol−1
Heat of Formation -345.7 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 594.21 Å 3
Surface Area 459.37 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-isopropyl-4-isoxazolyl]methoxy]phenyl]vinyl]benzoic acid
  • 3-[(e)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]phenyl]vinyl]benzoic acid
  • 3-[(e)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
  • gw 4064
CAS Number(s)
  • 278779-30-9
InChIKey BYTNEISLBIENSA-MDZDMXLPSA-N
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Elements H C N O Cl