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 | C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one |
| InChIKey | HHLMCSYXJNMKST-UHFFFAOYSA-N |
| INCHI | 1S/C23H16ClFN2O2/c24-17-9-7-16(8-10-17)23-20-4-2-1-3-19(20)22(29)27(23)14-13-26(23)21(28)15-5-11-18(25)12-6-15/h1-12H,13-14H2 |
| Isomeric SMILES | C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)F |
| PubChem CID | 3724240 |
| Molecular Weight | 406.84 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | 4-halobenzoic acids and derivatives Isoindolones Benzamides Isoindoles Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Lactams Azacyclic compounds Organochlorides Organic oxides Organooxygen compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylimidazolidine - Isoindolone - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Isoindole or derivatives - Isoindole - Benzamide - Isoindoline - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 406.800 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 406.088 Da |
| Monoisotopic Mass | 406.088 Da |
| Topological Polar Surface Area | 40.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 659.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one , CAS No.477886-50-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)