Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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 | C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCl.Cl |
|---|---|
| IUPAC Name | 2-chloro-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone;hydrochloride |
| InChIKey | SPJGVARISWUSKX-UHFFFAOYSA-N |
| INCHI | 1S/C13H15Cl2FN2O.ClH/c14-8-13(19)18-6-4-17(5-7-18)9-10-11(15)2-1-3-12(10)16;/h1-3H,4-9H2;1H |
| Isomeric SMILES | C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCl.Cl |
| PubChem CID | 16351480 |
| Molecular Weight | 305.183646 |
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 →| Molecular Weight | 341.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 340.031 Da |
| Monoisotopic Mass | 340.031 Da |
| Topological Polar Surface Area | 23.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| 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 | 2 |