| CAS Number | 1171078-91-3 |
| Catalog Number | AG019LMB |
| Chemical Name | 1-(3,4-Difluorobenzoyl)piperazine hydrochloride |
| IUPAC Name | (3,4-difluorophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H12F2N2O.ClH/c12-9-2-1-8(7-10(9)13)11(16)15-5-3-14-4-6-15;/h1-2,7,14H,3-6H2;1H |
| InChI Key | JNBFRHNICZIWRB-UHFFFAOYSA-N |
| MDL Number | MFCD09971556 |
| Molecular Formula | C11H13ClF2N2O |
| Molecular Weight | 262.6835 |
| SMILES | Cl.FC1=C(F)C=C(C(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-(3,4-difluorobenzoyl)piperazine hydrochloride,
1171078-91-3,
AC1Q3C9U,
CTK7F6610,
AKOS008090296,
MCULE-7458053708,
NE41982,
EN300-31761,
Z336481662,
|
| 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