3-Iodo-5-methoxybenzoic acid
Product Specifications
- CAS
- 74440-82-7
- MF
- C8H7IO3
- Appearance
- pale-yellow to off-white solid
- Synonym(s)
- 3-Iodo-5-methoxybenzoicacid; Benzoic acid, 3-iodo-5-methoxy-
- Shipping
- ambient temperature
- Storage
- 2-8°C
3-Iodo-5-methoxybenzoic acid is the CAS 74440-82-7 identity with molecular formula C8H7IO3. PubChem returns one matching compound, CID 57905757, and gives the same title. The Rlavie name is included among its official synonyms. CAS, formula, and title therefore converge on a single iodine-containing methoxybenzoic acid record before the ring positions are checked through structural notation.
SMILES COC1=CC(=CC(=C1)C(=O)O)I describes a benzene ring bearing methoxy, iodine, and carboxylic-acid groups. The 3-iodo and 5-methoxy locants define their placement relative to the acid-bearing ring carbon. PubChem lists InChIKey LAGXFKIAZDJQDL-UHFFFAOYSA-N, consistent with the stored InChI. Formula C8H7IO3 confirms one iodine and three oxygens but requires the SMILES or InChI to preserve the actual positional arrangement. The three substituents are not interchangeable with another ring numbering. The InChI connection layer independently records this same ordering around the aromatic ring.
To compare a requested structure with this entry, provide CAS 74440-82-7 and spell out both substituted ring positions. A MOL or SDF drawing can be assessed against CID 57905757, the verified SMILES, and InChIKey LAGXFKIAZDJQDL-UHFFFAOYSA-N. Keeping the methoxy and iodine locants in the accompanying name reduces the risk of selecting another iodomethoxybenzoic acid graph. The public text stays within those validated identity fields and does not add unsupported attributes.