| CAS Number | 97630-13-2 |
| Catalog Number | AG019J0E(AGN-PC-0KGHMQ) |
| Chemical Name | 1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperazine |
| IUPAC Name | 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine |
| InChI | InChI=1S/C11H12ClF3N2O2S/c12-10-2-1-8(7-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2 |
| InChI Key | RXZYZWZTSFNUHI-UHFFFAOYSA-N |
| MDL Number | MFCD04629611 |
| Molecular Formula | C11H12ClF3N2O2S |
| Molecular Weight | 328.7384 |
| SMILES | FC(C1=C(Cl)C=CC(S(N2CCNCC2)(=O)=O)=C1)(F)F |
| Synonyms | 1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperazine,
97630-13-2,
1-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}piperazine,
AC1M7JN9,
AC1Q4IT5,
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine,
CTK6H1037,
ZINC36378011,
AKOS008967000,
MCULE-4867119325,
NE19755,
EN300-08275,
AB00756756-01,
SR-01000048342,
SR-01000048342-1,
Z56953055,
1-{[4-chloro-3-(trifluoromethyl)benzene]sulfonyl}piperazine,
CID2443160,
1-([4-chloro-3-(trifluoromethyl)phenyl]sulfonyl)piperazine,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.734g/mol |
| Monoisotopic Mass | 328.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number