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CHEBI:49410 - 3-chlorobenzoic acid
| Formula | C7H5ClO2 |
| Net Charge | 0 |
| Average Mass | 156.568 |
| Monoisotopic Mass | 155.99781 |
| SMILES | O=C(O)c1cccc(Cl)c1 |
| InChI | InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | LULAYUGMBFYYEX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-chlorobenzoic acid (CHEBI:49410) has functional parent benzoic acid (CHEBI:30746) |
| 3-chlorobenzoic acid (CHEBI:49410) has role drug metabolite (CHEBI:49103) |
| 3-chlorobenzoic acid (CHEBI:49410) is a monochlorobenzoic acid (CHEBI:51967) |
| 3-chlorobenzoic acid (CHEBI:49410) is conjugate acid of 3-chlorobenzoate (CHEBI:19984) |
| Incoming Relation(s) |
| 3-chlorobenzoate (CHEBI:19984) is conjugate base of 3-chlorobenzoic acid (CHEBI:49410) |
| IUPAC Name |
|---|
| 3-chlorobenzoic acid |
| Synonym | Source |
|---|---|
| m-chlorobenzoic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 3BZ | PDBeChem |
| CPD-3486 | MetaCyc |
| HMDB0001544 | HMDB |
| Citations |
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