≥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.
| Canonical Smiles | COC(=O)C1=CC(=C(C=C1O)Cl)Br |
|---|---|
| IUPAC Name | methyl 5-bromo-4-chloro-2-hydroxybenzoate |
| InChIKey | DXRMNHFJAWRYHS-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrClO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1O)Cl)Br |
| Molecular Weight | 265.5 |
| Reaxy-Rn | 2721239 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2721239&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters |
| Direct Parent | o-Hydroxybenzoic acid esters |
| Alternative Parents | Salicylic acid and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives P-bromophenols Benzoyl derivatives M-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous acids Methyl esters Organic oxides Organobromides Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halophenol - 3-halophenol - 3-chlorophenol - Benzoyl - 4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Aryl chloride - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. |
| External Descriptors | Not available |
| Molecular Weight | 265.490 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.919 Da |
| Monoisotopic Mass | 263.919 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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 |
