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CHEBI:166845 - 2,3-dichlorobenzoic acid
| Formula | C7H4Cl2O2 |
| Net Charge | 0 |
| Average Mass | 191.013 |
| Monoisotopic Mass | 189.95883 |
| SMILES | O=C(O)c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
| InChIKey | QAOJBHRZQQDFHA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alcaligenes eutrophus H850 (ncbitaxon:53482) | - | PubMed (3111366) |
| Roles Classification |
|---|
| Chemical Roles: | impurity A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage. 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) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) has functional parent benzoic acid (CHEBI:30746) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) has role impurity (CHEBI:143130) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) is a chlorobenzoic acid (CHEBI:23134) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) is a dichlorobenzene (CHEBI:23697) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) is conjugate acid of 2,3-dichlorobenzoate (CHEBI:166851) |
| Incoming Relation(s) |
| 2,3-dichlorobenzoate (CHEBI:166851) is conjugate base of 2,3-dichlorobenzoic acid (CHEBI:166845) |
| IUPAC Name |
|---|
| 2,3-dichlorobenzoic acid |
| Synonyms | Source |
|---|---|
| benzoic acid, 2,3-dichloro- | ChemIDplus |
| 2,3-dichloro-benzoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1946217 | Reaxys |
| CAS:50-45-3 | ChemIDplus |
| Citations |
|---|