| CAS Number | 1251923-60-0 |
| Catalog Number | AG01AA32 |
| Chemical Name | 1-(3-Chloro-4-fluorobenzenesulfonyl)piperazine hydrochloride |
| IUPAC Name | 1-(3-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride |
| InChI | InChI=1S/C10H12ClFN2O2S.ClH/c11-9-7-8(1-2-10(9)12)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H |
| InChI Key | VXGUHJAVSCUSDM-UHFFFAOYSA-N |
| MDL Number | MFCD16817551 |
| Molecular Formula | C10H13Cl2FN2O2S |
| Molecular Weight | 315.1918 |
| SMILES | Cl.FC1=C(Cl)C=C(S(N2CCNCC2)(=O)=O)C=C1 |
| Synonyms | 1-(3-chloro-4-fluorobenzenesulfonyl)piperazine hydrochloride,
1251923-60-0,
1-[(3-chloro-4-fluorobenzene)sulfonyl]piperazine hydrochloride,
AC1Q3C9M,
NE25624,
EN300-66892,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.184g/mol |
| Monoisotopic Mass | 314.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number