Within: halogen (organic).

A compound has alkyl 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 (alkyl) fluoro_alkyl

within: fluoro, alkyl halide

chloro (alkyl) chloro_alkyl

within: chloro, alkyl halide

bromo (alkyl) bromo_alkyl

within: bromo, alkyl halide

iodo (alkyl) iodo_alkyl

within: iodo, alkyl halide

In the ATB

• 5,283 annotated compounds have it;
• 222 of them have experimental reference data;
• 100 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_alkyl.

Annotation scheme 2.