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CHEBI:30747 - 4-chlorobenzoic acid
| Formula | C7H5ClO2 |
| Net Charge | 0 |
| Average Mass | 156.568 |
| Monoisotopic Mass | 155.99781 |
| SMILES | O=C(O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | XRHGYUZYPHTUJZ-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) |
| 4-chlorobenzoic acid (CHEBI:30747) has functional parent benzoic acid (CHEBI:30746) |
| 4-chlorobenzoic acid (CHEBI:30747) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 4-chlorobenzoic acid (CHEBI:30747) is a monochlorobenzoic acid (CHEBI:51967) |
| 4-chlorobenzoic acid (CHEBI:30747) is conjugate acid of 4-chlorobenzoate (CHEBI:17861) |
| Incoming Relation(s) |
| 4-chlorobenzoyl chloride (CHEBI:60716) has functional parent 4-chlorobenzoic acid (CHEBI:30747) |
| 4-chlorobenzoyl-CoA (CHEBI:15498) has functional parent 4-chlorobenzoic acid (CHEBI:30747) |
| 4-chlorobenzoate (CHEBI:17861) is conjugate base of 4-chlorobenzoic acid (CHEBI:30747) |
| 4-chlorobenzoyl group (CHEBI:60717) is substituent group from 4-chlorobenzoic acid (CHEBI:30747) |
| IUPAC Name |
|---|
| 4-chlorobenzoic acid |
| Synonyms | Source |
|---|---|
| 4-Chlorobenzoic acid | KEGG COMPOUND |
| 4-CHLORO-BENZOIC ACID | PDBeChem |
| p-chlorbenzoic acid | NIST Chemistry WebBook |
| p-chlorobenzoic acid | NIST Chemistry WebBook |
| Citations |
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