≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=C(C(=CC(=C1)C(=O)OC)Br)O |
|---|---|
| IUPAC Name | methyl 3-bromo-4-hydroxy-5-methoxybenzoate |
| InChIKey | UIWBPQDQVILUJA-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3 |
| Isómeros SMILES | COC1=C(C(=CC(=C1)C(=O)OC)Br)O |
| PubChem CID | 11402737 |
| Peso molecular | 261.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | M-methoxybenzoic acids and derivatives |
| Alternative Parents | p-Hydroxybenzoic acid alkyl esters Methoxyphenols 3-halobenzoic acids and derivatives Phenoxy compounds O-bromophenols Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - 2-halophenol - 2-bromophenol - Phenol ether - Methoxybenzene - Phenol - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organobromide - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 261.070 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 259.968 Da |
| Monoisotopic Mass | 259.968 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
