Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:06:25 UTC
Update Date2025-03-21 18:29:28 UTC
HMDB IDHMDB0245840
Metabolite Identification
DeepMet IDDMID00077593
Name3-Chlorobiphenyl
Frequency37.8
Structure
Chemical FormulaC12H9Cl
Molecular Mass188.0393
SMILESClc1cccc(-c2ccccc2)c1
InChI KeyNMWSKOLWZZWHPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass biphenyls and derivatives
Direct Parent chlorinated biphenyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • chlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • Substituents
  • aryl chloride
  • chlorobenzene
  • aromatic homomonocyclic compound
  • organochloride
  • hydrocarbon derivative
  • halobenzene
  • organohalogen compound
  • chlorinated biphenyl
  • aryl halide