≥98% 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 | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)Br |
|---|---|
| IUPAC Name | tert-butyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate |
| InChIKey | SEJWRHUDDTVGHP-HNNXBMFYSA-N |
| INCHI | 1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-10-4-5-15(22)16-20-11-14(21-16)12-6-8-13(19)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,20,21)/t15-/m0/s1 |
| Molecular Weight | 392.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Pyrrolidine carboxylic acids Imidazolyl carboxylic acids and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Imidazolyl carboxylic acid derivative - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 392.300 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 391.09 Da |
| Monoisotopic Mass | 391.09 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
