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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:46:06 UTC
Update Date2025-03-21 18:00:47 UTC
HMDB IDHMDB0245450
Metabolite Identification
DeepMet IDDMID00029245
Name2,4-Dichloroaniline
Frequency128.0
Structure
Chemical FormulaC6H5Cl2N
Molecular Mass160.9799
SMILESNc1ccc(Cl)cc1Cl
InChI KeyKQCMTOWTPBNWDB-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
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aryl chloride
  • organochloride
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine