≥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.
| Canonical Smiles | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O |
|---|---|
| IUPAC Name | 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid |
| InChIKey | AQAXYDDYNVXYEF-UHFFFAOYSA-N |
| INCHI | 1S/C16H13Br2NO4/c17-12-8-5-9(13(12)18)11-10(8)14(20)19(15(11)21)7-3-1-2-6(4-7)16(22)23/h1-4,8-13H,5H2,(H,22,23) |
| Isomeric SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O |
| PubChem CID | 5196360 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Phenylpyrrolidines Aromatic monoterpenoids Isoindolones Benzoic acids Benzoyl derivatives N-substituted carboxylic acid imides Pyrrolidine-2-ones Dicarboximides Pyrroles Lactams Carboxylic acids Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organobromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Aromatic monoterpenoid - Norbornane monoterpenoid - Isoindolone - Monoterpenoid - Benzoic acid - Isoindoline - Isoindole or derivatives - Benzoyl - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 443.090 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 442.919 Da |
| Monoisotopic Mass | 440.921 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| 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 |
