2,2'-Methylenebis(6-Chlorothymole)

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Properties Simple | Detailed

Formula C21H26Cl2O2
IUPAC Name 4-chloro-2-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-6-isopropyl-3-methyl-phenol
Molecular Mass 381.336 g·mol−1
Heat of Formation -527.1 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 455.05 Å 3
Surface Area 375.18 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-2-(5-chloro-2-hydroxy-3-isopropyl-6-methyl-benzyl)-6-isopropyl-3-methyl-phenol
  • 4-chloro-2-[(5-chloro-2-hydroxy-3-isopropyl-6-methylphenyl)methyl]-6-isopropyl-3-methylphenol
  • 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-yl-phenyl)methyl]-3-methyl-6-propan-2-yl-phenol
  • 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol
  • 6,6'-dichlor-2,2'-methylendithymol
  • biclotymol
  • biclotymol [dcf:inn]
  • thymol, 2,2'-methylenebis[6-chloro-
CAS Number(s)
  • 15686-33-6
InChIKey HNOOXWDWUSLXOB-UHFFFAOYSA-N
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