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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:20:17 UTC
Update Date2025-03-21 18:36:31 UTC
HMDB IDHMDB0245494
Metabolite Identification
DeepMet IDDMID00111042
Name1,4-Dichloro-2-nitrobenzene
Frequency24.0
Structure
Chemical FormulaC6H3Cl2NO2
Molecular Mass190.9541
SMILESO=[N+]([O-])c1cc(Cl)ccc1Cl
InChI KeyRZKKOBGFCAHLCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • dichlorobenzenes
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • organochloride
  • allyl-type 1,3-dipolar organic compound
  • organohalogen compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • nitrobenzene
  • nitroaromatic compound
  • aryl chloride
  • chlorobenzene
  • 1,4-dichlorobenzene
  • organic 1,3-dipolar compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organic hyponitrite