≥95% 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 | B(C1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C)(O)O |
|---|---|
| IUPAC Name | [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid |
| InChIKey | PFQQZEMAZQNSCZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H16BBrO4/c1-12(2,3)7-18-11(15)9-5-4-8(14)6-10(9)13(16)17/h4-6,16-17H,7H2,1-3H3 |
| Isómeros SMILES | B(C1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C)(O)O |
| PubChem CID | 44784945 |
| Peso molecular | 314.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid esters Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid ester - Boronic acid - Boronic acid derivative - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 314.970 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 314.033 Da |
| Monoisotopic Mass | 314.033 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |
