[4-(4-Chlorophenyl)-2-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)-2,3-Dihydro-1,3-Thiazol-5-Yl]Acetic Acid

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Formula C17H12ClNO3S
IUPAC Name 2-[4-(4-chlorophenyl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)thiazol-5-yl]acetic acid
Molecular Mass 345.800 g·mol−1
Heat of Formation -233.4 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 372.16 Å 3
Surface Area 334.49 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(4-chlorophenyl)-2-(4-keto-1-cyclohexa-2,5-dienylidene)-3h-thiazol-5-yl]acetic acid
  • 2-[4-(4-chlorophenyl)-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3h-1,3-thiazol-5-yl]ethanoic acid
  • 2-[4-(4-chlorophenyl)-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3h-thiazol-5-yl]acetic acid
  • 4-hydroxyfentiazac
  • 5-thiazoleacetic acid, 4-(4-chlorophenyl)-2-(4-hydroxyphenyl)-
  • p-hydroxyfentiazac
CAS Number(s)
  • 67724-24-7
InChIKey GBUVCTNQLAMZST-UHFFFAOYSA-N
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