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CHEBI:81806 - 2-methyl-4-chlorophenoxybutyric acid
| Formula | C11H13ClO3 |
| Net Charge | 0 |
| Average Mass | 228.675 |
| Monoisotopic Mass | 228.05532 |
| SMILES | Cc1cc(Cl)ccc1OCCCC(=O)O |
| InChI | InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
| InChIKey | LLWADFLAOKUBDR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | phenoxy herbicide Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role environmental contaminant (CHEBI:78298) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role phenoxy herbicide (CHEBI:60575) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) has role xenobiotic (CHEBI:35703) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a aromatic ether (CHEBI:35618) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a monocarboxylic acid (CHEBI:25384) |
| 2-methyl-4-chlorophenoxybutyric acid (CHEBI:81806) is a monochlorobenzenes (CHEBI:83403) |
| IUPAC Name |
|---|
| 4-(4-chloro-2-methylphenoxy)butanoic acid |
| Synonyms | Source |
|---|---|
| MCPB | KEGG COMPOUND |
| 4-(4-chloro-o-tolyloxy)butyric acid | Alan Wood's Pesticides |
| Citations |
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