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 | CC1CNCCN1CC2=C(C=CC=C2Cl)F.Cl |
|---|---|
| IUPAC Name | 1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride |
| InChIKey | MDQZTNLZODTOGV-UHFFFAOYSA-N |
| INCHI | 1S/C12H16ClFN2.ClH/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H |
| Isomeric SMILES | CC1CNCCN1CC2=C(C=CC=C2Cl)F.Cl |
| PubChem CID | 60137565 |
| Molecular Weight | 279.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 279.180 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 278.075 Da |
| Monoisotopic Mass | 278.075 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 | 2 |