8-(4-Chlorophenyl)-7-Oxo-7H-[1,3]Thiazolo[3,2-A]Pyrimidin-8-Ium-5-Olate

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Properties Simple | Detailed

Formula C12H7ClN2O2S
IUPAC Name 8-(4-chlorophenyl)-7-oxo-thiazolo[3,2-a]pyrimidin-4-ium-5-olate
Molecular Mass 278.714 g·mol−1
Heat of Formation -53.6 ± 16.7 kJ·mol−1
Dipole Moment 6.48 ± 1.08 D
Volume 287.77 Å 3
Surface Area 259.5 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(4-chlorophenyl)-7-keto-thiazolo[2,3-b]pyrimidin-4-ium-5-olate
  • 8-(4-chlorophenyl)-7-oxo-5-thiazolo[2,3-b]pyrimidin-4-iumolate
  • 8-(4-chlorophenyl)-7-oxo-thiazolo[2,3-b]pyrimidin-4-ium-5-olate
InChIKey YNZNMLWJILWREM-UHFFFAOYSA-N
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