≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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=C2CCNC2=CC(=C1)Br.Cl |
|---|---|
| IUPAC Name | methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate;hydrochloride |
| InChIKey | MBLUGEKCWMZYCM-UHFFFAOYSA-N |
| INCHI | 1S/C10H10BrNO2.ClH/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9;/h4-5,12H,2-3H2,1H3;1H |
| Isomeric SMILES | COC(=O)C1=C2CCNC2=CC(=C1)Br.Cl |
| PubChem CID | 72207945 |
| Molecular Weight | 292.56 |
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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | 3-halobenzoic acids and derivatives Indolines Secondary alkylarylamines Aralkylamines Aryl bromides Methyl esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 292.550 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 290.966 Da |
| Monoisotopic Mass | 290.966 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 234.000 |
| 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 | 2 |
