| CAS Number | 1221724-79-3 |
| Catalog Number | AG019XWJ(AGN-PC-0WCLN9) |
| Chemical Name | 1-(2,5-Difluorobenzoyl)piperazine hydrochloride |
| IUPAC Name | (2,5-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H12F2N2O.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 | OXMSLWOUSHKMCM-UHFFFAOYSA-N |
| MDL Number | MFCD13368232 |
| Molecular Formula | C11H13ClF2N2O |
| Molecular Weight | 262.6835 |
| SMILES | C1=CC(=C(C=C1F)C(=O)N2CCNCC2)F.Cl |
| Synonyms | 1-(2,5-difluorobenzoyl)piperazine hydrochloride,
1221724-79-3,
1-[(2,5-difluorophenyl)carbonyl]piperazine hydrochloride,
AC1Q3CA7,
CTK7F6063,
AKOS025440138,
MCULE-5282662980,
NE55247,
EN300-56233,
A1-01280,
Z1262237230,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.685g/mol |
| Monoisotopic Mass | 262.068g/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