4,5,6-Trichloroguaiacol

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Properties Simple | Detailed

Formula C7H5Cl3O2
IUPAC Name 2,3,4-trichloro-6-methoxy-phenol
Molecular Mass 227.472 g·mol−1
Heat of Formation -328.6 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 216.18 Å 3
Surface Area 207.49 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3,4-trichloro-6-methoxyphenol
  • phenol, 2,3,4-trichloro-6-methoxy-
  • phenol, 6-methoxy-2,3,4-trichloro-
CAS Number(s)
  • 2668-24-8
InChIKey NIAJPNQTKGWEOI-UHFFFAOYSA-N
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Elements H C O Cl