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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:41:52 UTC
Update Date2025-03-21 17:59:13 UTC
HMDB IDHMDB0001544
Metabolite Identification
DeepMet IDDMID00019484
Namem-Chlorobenzoic acid
Frequency210.0
Structure
Chemical FormulaC7H5ClO2
Molecular Mass155.9978
SMILESO=C(O)c1cccc(Cl)c1
InChI KeyLULAYUGMBFYYEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent halobenzoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-halobenzoic acids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • chlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • Substituents
  • aryl chloride
  • chlorobenzene
  • halobenzoic acid
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • organochloride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • 3-halobenzoic acid
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • benzoic acid
  • organooxygen compound