≥97% 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 | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)O |
|---|---|
| IUPAC Name | 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetic acid |
| InChIKey | CRKYKLQWHFYTOY-UHFFFAOYSA-N |
| INCHI | 1S/C11H11Br2NO4/c12-8-3-1-4(9(8)13)7-6(3)10(17)14(11(7)18)2-5(15)16/h3-4,6-9H,1-2H2,(H,15,16) |
| Isomeric SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)O |
| PubChem CID | 5134011 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Alpha amino acids and derivatives Monoterpenoids Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organobromides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl bromides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Isoindolone - Norbornane monoterpenoid - Monoterpenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 381.020 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 380.903 Da |
| Monoisotopic Mass | 378.905 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 422.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
