≥97% 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)Br)Cl)Br |
|---|---|
| IUPAC Name | methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate |
| InChIKey | GZRLWDKMFBMBDE-UHFFFAOYSA-N |
| INCHI | 1S/C8H5Br2ClO3/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2,12H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C(=C1O)Br)Cl)Br |
| PubChem CID | 26369957 |
| Molecular Weight | 344.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | 3-halobenzoic acids and derivatives Salicylic acid and derivatives 4-halobenzoic acids and derivatives P-bromophenols Benzoyl derivatives O-bromophenols M-chlorophenols Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous acids Methyl esters Organic oxides Organobromides Organochlorides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - 4-halophenol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-bromophenol - Benzoyl - 4-bromophenol - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl chloride - Aryl halide - Methyl ester - Vinylogous acid - 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 | 344.380 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 343.827 Da |
| Monoisotopic Mass | 341.829 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
