≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC(=O)C1=C(C(=CC(=C1)Br)O)O |
|---|---|
| IUPAC Name | methyl 5-bromo-2,3-dihydroxybenzoate |
| InChIKey | DADZQRYTHXRMPM-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO4/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,10-11H,1H3 |
| Isómeros SMILES | COC(=O)C1=C(C(=CC(=C1)Br)O)O |
| Peso molecular | 247.04 |
| Reaxy-Rn | 7635407 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7635407&ln= |
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 | Benzoic acid esters |
| Direct Parent | m-Hydroxybenzoic acid esters |
| Alternative Parents | o-Hydroxybenzoic acid esters 3-halobenzoic acids and derivatives Salicylic acid and derivatives Benzoyl derivatives Catechols M-bromophenols P-bromophenols 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Methyl esters Vinylogous acids Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-bromophenol - 3-halophenol - 4-halophenol - 4-bromophenol - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group. |
| External Descriptors | Not available |
| Peso molecular | 247.040 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 245.953 Da |
| Monoisotopic Mass | 245.953 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
