≥90% 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 | COC(=O)C1=C2CCCN2C(=C1C(=O)OC)C3=CC(=CC=C3)Cl |
|---|---|
| IUPAC Name | dimethyl 3-(3-chlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate |
| InChIKey | BCRUAZABHTZIND-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClNO4/c1-22-16(20)13-12-7-4-8-19(12)15(14(13)17(21)23-2)10-5-3-6-11(18)9-10/h3,5-6,9H,4,7-8H2,1-2H3 |
| Isomeric SMILES | COC(=O)C1=C2CCCN2C(=C1C(=O)OC)C3=CC(=CC=C3)Cl |
| PubChem CID | 337994 |
| Molecular Weight | 333.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrolizines Pyrrole carboxylic acids and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyrrole - Pyrrole-3-carboxylic acid or derivatives - Pyrrolizine - Chlorobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 333.800 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 333.077 Da |
| Monoisotopic Mass | 333.077 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 | 1 |
