(2E)-2,4,4-Trichloro-3-Formyl-2-Butenoic Acid

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Properties Simple | Detailed

Formula C5H3Cl3O3
IUPAC Name (e)-2,4,4-trichloro-3-formyl-but-2-enoic acid
Molecular Mass 217.435 g·mol−1
Heat of Formation -530.5 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 201.92 Å 3
Surface Area 191.84 Å 2
HOMO Energy -10.95 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2,4,4-trichloro-3-formylbut-2-enoic acid
  • (e)-2,4,4-trichloro-3-formyl-but-2-enoic acid
  • (e)-2,4,4-trichloro-3-formylbut-2-enoic acid
  • (e)-2,4,4-trichloro-3-methanoyl-but-2-enoic acid
  • (e)-2-chloro-3-(dichloromethyl)-4-oxo-butenoic acid
  • (e)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
  • (e)-3-formyl-2,4,4-trichloro-2-butenoic acid
  • 2-butenoic acid, 3-formyl-2,4,4-trichloro-, (e)-
  • 2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
CAS Number(s)
  • 115340-67-5
InChIKey BYYQBAWEAGLGPF-NSCUHMNNSA-N
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Elements H C O Cl