{[5-Chloro-3-(2-Methylphenyl)-4-Oxo-4H-Chromen-7-Yl]Oxy}Acetic Acid

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Properties Simple | Detailed

Formula C18H13ClO5
IUPAC Name 2-[5-chloro-3-(o-tolyl)-4-oxo-chromen-7-yl]oxyacetic acid
Molecular Mass 344.746 g·mol−1
Heat of Formation -622.7 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 371.23 Å 3
Surface Area 334.98 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • ((5-chloro-3-(2-methylphenol)-4-oxo-4h-1-benzopyran-7-yl)oxy)acetic acid
  • 2-[5-chloro-3-(2-methylphenyl)-4-oxo-chromen-7-yl]oxyacetic acid
  • 2-[5-chloro-3-(2-methylphenyl)-4-oxo-chromen-7-yl]oxyethanoic acid
  • 2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid
  • 2-[5-chloro-4-keto-3-(2-methylphenyl)chromen-7-yl]oxyacetic acid
  • 2-[[5-chloro-3-(2-methylphenyl)-4-oxo-7-chromenyl]oxy]acetic acid
  • acetic acid, ((5-chloro-3-(2-methylphenyl)-4-oxo-4h-1-benzopyran-7-yl)oxy)-
  • dr 3438
  • dr-3438
CAS Number(s)
  • 112953-47-6
InChIKey POJPNUILSOANLV-UHFFFAOYSA-N
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Elements H C O Cl