≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504773385 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773385 |
| Canonical Smiles | C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl |
| IUPAC Name | 8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride |
| InChIKey | UNDKJUKLBNARIZ-FVGYRXGTSA-N |
| INCHI | 1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1 |
| Isomeric SMILES | C1C[C@H](NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.Cl |
| PubChem CID | 135564631 |
| Molecular Weight | 326.18 |
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 | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Pyrimidones Aralkylamines Aryl chlorides Benzenoids Vinylogous amides Pyrrolidines Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Pyrimidone - Aralkylamine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Secondary amine - Secondary aliphatic amine - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2109456 | Certificate of Analysis | Jun 21, 2024 | X287123 |
| I2109548 | Certificate of Analysis | Jun 21, 2024 | X287123 |
| I2109549 | Certificate of Analysis | Jun 21, 2024 | X287123 |
| I2109570 | Certificate of Analysis | Jun 21, 2024 | X287123 |
| Solubility | Solvent:water, Max Conc. mg/mL: 6.52, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 326.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 325.038 Da |
| Monoisotopic Mass | 325.038 Da |
| Topological Polar Surface Area | 66.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 | 2 |
