4-Chloro-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C9H5ClO2
IUPAC Name 4-chlorochromen-2-one
Molecular Mass 180.588 g·mol−1
Heat of Formation -190.3 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 188.51 Å 3
Surface Area 184.71 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-chloro-2-chromenone
  • 4-chloro-2h-1-benzopyran-2-one
  • 4-chlorocoumarin
CAS Number(s)
  • 17831-88-8
InChIKey RKEYJFRSDLEQIE-UHFFFAOYSA-N
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DOI
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Elements H C O Cl