[4-(Chloromethyl)Phenyl](Oxo)Acetic Acid

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Properties Simple | Detailed

Formula C9H7ClO3
IUPAC Name 2-[4-(chloromethyl)phenyl]-2-oxo-acetic acid
Molecular Mass 198.603 g·mol−1
Heat of Formation -434.9 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 214.2 Å 3
Surface Area 209.67 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(chloromethyl)phenyl]-2-keto-acetic acid
  • 2-[4-(chloromethyl)phenyl]-2-oxo-ethanoic acid
  • 2-[4-(chloromethyl)phenyl]-2-oxoacetic acid
  • 4-(chloromethyl)benzoylformate
  • benzeneacetic acid, 4-(chloromethyl)-alpha-oxo-
  • clmebf
CAS Number(s)
  • 114996-73-5
InChIKey PTGQUDJBQDECBL-UHFFFAOYSA-N
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Elements H C O Cl