4-{[(Z)-(4-Chlorophenyl)(3-Fluoro-6-Oxo-2,4-Cyclohexadien-1-Ylidene)Methyl]Amino}Butanoic Acid

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Properties Simple | Detailed

Formula C17H15ClFNO3
IUPAC Name 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid
Molecular Mass 335.757 g·mol−1
Heat of Formation -582.8 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 378.19 Å 3
Surface Area 337.89 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(4-chlorophenyl)-(3-fluoro-6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]butyric acid
  • 4-[[(4-chlorophenyl)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanoic acid
  • 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-keto-1-cyclohexa-2,4-dienylidene)methyl]amino]butyric acid
  • 4-[[(z)-(4-chlorophenyl)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanoic acid
InChIKey AJPSGLKFKRSEBJ-VKAVYKQESA-N
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Elements C F H Cl O N