2,3,6-Trichlorophenol Acetate

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Properties Simple | Detailed

Formula C8H5Cl3O2
IUPAC Name (2,3,6-trichlorophenyl) acetate
Molecular Mass 239.483 g·mol−1
Heat of Formation -370.7 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 228.25 Å 3
Surface Area 217.43 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3,6-trichlorophenyl) ethanoate
  • 2,3,6-trichlorophenyl acetate
  • acetic acid (2,3,6-trichlorophenyl) ester
  • phenol, 2,3,6-trichloro-, acetate
CAS Number(s)
  • 61925-87-9
InChIKey NIXCFOKFBOFURO-UHFFFAOYSA-N
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Elements H C O Cl