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CHEBI:30749 - 4-chlorophenylacetic acid
| Formula | C8H7ClO2 |
| Net Charge | 0 |
| Average Mass | 170.595 |
| Monoisotopic Mass | 170.01346 |
| SMILES | O=C(O)Cc1ccc(Cl)cc1 |
| InChI | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | CDPKJZJVTHSESZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chlorophenylacetic acid (CHEBI:30749) has functional parent acetic acid (CHEBI:15366) |
| 4-chlorophenylacetic acid (CHEBI:30749) has role xenobiotic metabolite (CHEBI:76206) |
| 4-chlorophenylacetic acid (CHEBI:30749) is a monocarboxylic acid (CHEBI:25384) |
| 4-chlorophenylacetic acid (CHEBI:30749) is a monochlorobenzenes (CHEBI:83403) |
| 4-chlorophenylacetic acid (CHEBI:30749) is conjugate acid of 4-chlorophenylacetate (CHEBI:16237) |
| Incoming Relation(s) |
| 4-chlorophenylacetate (CHEBI:16237) is conjugate base of 4-chlorophenylacetic acid (CHEBI:30749) |
| IUPAC Name |
|---|
| (4-chlorophenyl)acetic acid |
| Synonyms | Source |
|---|---|
| 4-Chlorophenylacetic acid | KEGG COMPOUND |
| p-chlorophenylacetic acid | NIST Chemistry WebBook |
| (p-chlorophenyl)acetic acid | NIST Chemistry WebBook |
| 4-chlorobenzeneacetic acid | NIST Chemistry WebBook |
| Citations |
|---|