| CAS Number | 1065586-37-9 |
| Catalog Number | AG01A9QQ |
| Chemical Name | 1-(2,4-Difluorobenzoyl)piperazine hydrochloride |
| IUPAC Name | (2,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H12F2N2O.ClH/c12-8-1-2-9(10(13)7-8)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H |
| InChI Key | GOKZJHFFNFROOW-UHFFFAOYSA-N |
| MDL Number | MFCD16622196 |
| Molecular Formula | C11H13ClF2N2O |
| Molecular Weight | 262.6835 |
| SMILES | Cl.FC1=CC(F)=C(C(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-(2,4-difluorobenzoyl)piperazine hydrochloride,
1065586-37-9,
1-[(2,4-difluorophenyl)carbonyl]piperazine hydrochloride,
AC1Q3CAB,
SCHEMBL2849329,
GOKZJHFFNFROOW-UHFFFAOYSA-N,
AKOS025440153,
MCULE-4619187532,
NE34155,
EN300-65858,
Z1262398416,
(2,4-difluorophenyl)piperazin-1-yl-methanone hydrochloride,
|
| 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