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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:39 UTC
Update Date2025-03-25 00:59:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239275
Frequency0.5
Structure
Chemical FormulaC9H2Cl2N4
Molecular Mass235.9657
SMILESN#Cc1c(N)c(Cl)c(C#N)c(C#N)c1Cl
InChI KeyBLOCVUCXSHBJPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,4-dihalobenzenes
  • aryl chlorides
  • benzonitriles
  • hydrocarbon derivatives
  • nitriles
  • organochlorides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aryl chloride
  • nitrile
  • 1,4-dichlorobenzene
  • organochloride
  • 1,4-dihalobenzene
  • organohalogen compound
  • benzonitrile
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • carbonitrile