≥96% 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.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2C)C=CC=C3Cl |
|---|---|
| IUPAC Name | 4-chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole |
| InChIKey | VUBGUQRJVLABQU-UHFFFAOYSA-N |
| INCHI | 1S/C15H19BClNO2/c1-14(2)15(3,4)20-16(19-14)13-9-10-11(17)7-6-8-12(10)18(13)5/h6-9H,1-5H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2C)C=CC=C3Cl |
| PubChem CID | 53217268 |
| Molecular Weight | 291.6 |
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 |
| Class | Indoles and derivatives |
| Subclass | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | Indoles Aryl chlorides Benzenoids N-methylpyrroles Boronic acid esters Dioxaborolanes Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organometalloid compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - Indole - Aryl chloride - Aryl halide - N-methylpyrrole - Benzenoid - Substituted pyrrole - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Pyrrole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 291.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 291.12 Da |
| Monoisotopic Mass | 291.12 Da |
| Topological Polar Surface Area | 23.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 374.000 |
| 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 |
