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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:50 UTC
Update Date2025-03-21 18:37:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117232
Frequency22.4
Structure
Chemical FormulaC9HCl2N3
Molecular Mass220.9548
SMILESN#Cc1cc(C#N)c(Cl)c(C#N)c1Cl
InChI KeyFCPLRICQARKRLY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • benzonitriles
  • hydrocarbon derivatives
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • nitrile
  • organochloride
  • organohalogen compound
  • benzonitrile
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • carbonitrile