3,4,4-Trichloro-3-Buten-2-One

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Properties Simple | Detailed

Formula C4H3Cl3O
IUPAC Name 3,4,4-trichlorobut-3-en-2-one
Molecular Mass 173.425 g·mol−1
Heat of Formation -198.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 166.92 Å 3
Surface Area 166.52 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3-buten-2-one, 3,4,4-trichloro-
  • methyl trichlorovinyl ketone
  • methyltrichlorovinylketone
CAS Number(s)
  • 5780-63-2
InChIKey YIQIQDJXRIRNTD-UHFFFAOYSA-N
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Elements H C O Cl