≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C(=CC=C3)Br)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl 4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
| InChIKey | HJKPNFCBOKFSLC-UHFFFAOYSA-N |
| INCHI | 1S/C19H25BBrNO4/c1-17(2,3)24-16(23)22-11-12(15-13(21)9-8-10-14(15)22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C(=CC=C3)Br)C(=O)OC(C)(C)C |
| PubChem CID | 53217220 |
| Peso molecular | 422.14 |
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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Aryl bromides Benzenoids Boronic acid esters Dioxaborolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organic oxides Organobromides Organometalloid compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - Indole - Pyrrole-1-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrole - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Organic metalloid salt - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. |
| External Descriptors | Not available |
| Peso molecular | 422.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 421.106 Da |
| Monoisotopic Mass | 421.106 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| 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 |
