EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48623 - 2,6-dichlorobenzoic acid
| Formula | C7H4Cl2O2 |
| Net Charge | 0 |
| Average Mass | 191.013 |
| Monoisotopic Mass | 189.95883 |
| SMILES | O=C(O)c1c(Cl)cccc1Cl |
| InChI | InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
| InChIKey | MRUDNSFOFOQZDA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-dichlorobenzoic acid (CHEBI:48623) has functional parent benzoic acid (CHEBI:30746) |
| 2,6-dichlorobenzoic acid (CHEBI:48623) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 2,6-dichlorobenzoic acid (CHEBI:48623) is a chlorobenzoic acid (CHEBI:23134) |
| 2,6-dichlorobenzoic acid (CHEBI:48623) is a dichlorobenzene (CHEBI:23697) |
| 2,6-dichlorobenzoic acid (CHEBI:48623) is conjugate acid of 2,6-dichlorobenzoate (CHEBI:48624) |
| Incoming Relation(s) |
| 2,6-dichlorobenzoate (CHEBI:48624) is conjugate base of 2,6-dichlorobenzoic acid (CHEBI:48623) |
| 2,6-dichlorobenzoyl group (CHEBI:48625) is substituent group from 2,6-dichlorobenzoic acid (CHEBI:48623) |
| IUPAC Name |
|---|
| 2,6-dichlorobenzoic acid |
| Citations |
|---|