3-Chloro-2,5,6-Trimethylbenzoic Acid

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Properties Simple | Detailed

Formula C10H11ClO2
IUPAC Name 3-chloro-2,5,6-trimethyl-benzoic acid
Molecular Mass 198.646 g·mol−1
Heat of Formation -425.5 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 229.57 Å 3
Surface Area 215.27 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-2,5,6-trimethylbenzoate
  • benzoic acid, 3-chloro-2,5,6-trimethyl-
  • u 23223
CAS Number(s)
  • 18354-25-1
  • 38149-23-4
InChIKey JRLXGVKKZQHJAX-UHFFFAOYSA-N
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Elements H C O Cl