Functional Group

aryl halide halo_aryl parent group

Within: halogen (organic).

A compound has aryl halide when it has any of the groups below. A parent group is never matched itself, and its count of a compound is the number of occurrences of all of them together.

Groups directly under it

fluoro (aryl) fluoro_aryl
Query graph of fluoro (aryl)
chloro (aryl) chloro_aryl
Query graph of chloro (aryl)
bromo (aryl) bromo_aryl
Query graph of bromo (aryl)
within: bromo, aryl halide
iodo (aryl) iodo_aryl
Query graph of iodo (aryl)
within: iodo, aryl halide

In the ATB

  • 5,097 annotated compounds have it;
  • 166 of them have experimental reference data;
  • 0 are monofunctional: this is their only group, once (rings count as groups, so a phenol is not).

The annotated compounds are those with experimental reference data plus small, neutral organic compounds (up to 12 heavy atoms), not every ATB molecule. Through the API: GET /api/v1/molecules?functional_group=halo_aryl.

Annotation scheme 2.