| CAS Number | 1803598-81-3 |
| Catalog Number | AG01ACP6 |
| Chemical Name | 1-(4-trifluoromethanesulfonylphenyl)piperazine hydrochloride |
| IUPAC Name | 1-[4-(trifluoromethylsulfonyl)phenyl]piperazine;hydrochloride |
| InChI | InChI=1S/C11H13F3N2O2S.ClH/c12-11(13,14)19(17,18)10-3-1-9(2-4-10)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H |
| InChI Key | OEUGDVLDPLICDA-UHFFFAOYSA-N |
| MDL Number | MFCD26408066 |
| Molecular Formula | C11H14ClF3N2O2S |
| Molecular Weight | 330.7543 |
| SMILES | Cl.FC(S(C1=CC=C(N2CCNCC2)C=C1)(=O)=O)(F)F |
| Synonyms | 1-(4-trifluoromethanesulfonylphenyl)piperazine hydrochloride,
1803598-81-3,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.75g/mol |
| Monoisotopic Mass | 330.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number