Alclofenac
An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 22131-79-9 | ChEBI ↗ |
| Molecular formula | C11H11ClO3 | ChEBI ↗ |
| Molar mass | 226.659 g/mol | ChEBI ↗ |
| Monoisotopic mass | 226.03967 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:31183 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 226.65 g/mol | PubChem ↗ |
| Exact mass | 226.0396719 Da | PubChem ↗ |
| Computed XLogP | 2.5 | PubChem ↗ |
| Topological polar surface area (Ų) | 46.5 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 5 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifieralclofenac[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acidARHWPKZXBHOEEE-UHFFFAOYSA-NC=CCOc1ccc(CC(=O)O)cc1ClInChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 226.659 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOClHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.