4-Benzyl-2-Chloro-6-Methylphenol

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Properties Simple | Detailed

Formula C14H13ClO
IUPAC Name 4-benzyl-2-chloro-6-methyl-phenol
Molecular Mass 232.705 g·mol−1
Heat of Formation -92.9 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 278.17 Å 3
Surface Area 258.34 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-6-methyl-4-(phenylmethyl)phenol
  • 2-chloro-6-methyl-benzylphenol
  • 4-(benzyl)-2-chloro-6-methyl-phenol
  • 4-benzyl-6-chloro-o-cresol
  • phenol, 2-chloro-6-methyl-4-(phenylmethyl)-
CAS Number(s)
  • 65053-91-0
InChIKey ZNNPQQQAYCQFHP-UHFFFAOYSA-N
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Elements H C O Cl