| CAS Number | 1172407-04-3 |
| Catalog Number | AG019UBH |
| Chemical Name | 1-(5-Chloro-2-fluorobenzoyl)piperazine hydrochloride |
| IUPAC Name | (5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H12ClFN2O.ClH/c12-8-1-2-10(13)9(7-8)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H |
| InChI Key | GMMNQNOVENOZJS-UHFFFAOYSA-N |
| MDL Number | MFCD11795706 |
| Molecular Formula | C11H13Cl2FN2O |
| Molecular Weight | 279.1381 |
| SMILES | Cl.FC1=C(C(N2CCNCC2)=O)C=C(Cl)C=C1 |
| Synonyms | 1-(5-chloro-2-fluorobenzoyl)piperazine hydrochloride,
1172407-04-3,
AC1Q3C9D,
CTK7F6005,
AKOS008090297,
MCULE-4926712781,
NE54045,
EN300-41173,
1-[(5-chloro-2-fluorophenyl)carbonyl]piperazine hydrochloride,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.136g/mol |
| Monoisotopic Mass | 278.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number