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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:13:28 UTC
Update Date2025-03-24 21:58:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01951150
Frequency0.6
Structure
Chemical FormulaC6H4ClNO
Molecular Mass140.9981
SMILESO=Nc1ccc(Cl)cc1
InChI KeyIEYSGPZUULPJPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • c-nitroso compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • organic nitroso compound
  • organochloride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound