3,4,5-Trichloroguaiacol

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Properties Simple | Detailed

Formula C7H5Cl3O2
IUPAC Name 3,4,5-trichloro-2-methoxy-phenol
Molecular Mass 227.472 g·mol−1
Heat of Formation -339.8 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 216.87 Å 3
Surface Area 205.17 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxy-trichlorophenol
  • 3,4,5-trichloro-2-methoxyphenol
  • phenol, 2-methoxy-trichloro-
  • phenol, 3,4,5-trichloro-2-methoxy-
  • trichloroguaiacol
CAS Number(s)
  • 57057-83-7
InChIKey RKEHLKXRUVUBJN-UHFFFAOYSA-N
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Elements H C O Cl