| CAS Number | 1172846-19-3 |
| Catalog Number | AG00J1CI |
| Chemical Name | 1-(2-fluorobenzyl)-2-piperazinone hydrochloride |
| IUPAC Name | 1-[(2-fluorophenyl)methyl]piperazin-2-one;hydrochloride |
| InChI | InChI=1S/C11H13FN2O.ClH/c12-10-4-2-1-3-9(10)8-14-6-5-13-7-11(14)15;/h1-4,13H,5-8H2;1H |
| InChI Key | YKWRKTYPUSZHMD-UHFFFAOYSA-N |
| MDL Number | MFCD11502895 |
| Molecular Formula | C11H14ClFN2O |
| Molecular Weight | 244.6931 |
| SMILES | N1(CCNCC1=O)CC1=CC=CC=C1F.Cl |
| Synonyms | 1-(2-Fluorobenzyl)-2-piperazinone hydrochloride,
1-(2-FLUOROBENZYL)PIPERAZIN-2-ONE HYDROCHLORIDE,
1172846-19-3,
ZX-CM003898,
MFCD11502895,
AKOS015888758,
I01-13848,
1-(2-FLUOROBENZYL)-2-PIPERAZINONE, HYDROCHLORIDE,
1-[(2-fluorophenyl)methyl]piperazin-2-one hydrochloride,
893747-85-8,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.694g/mol |
| Monoisotopic Mass | 244.078g/mol |
| Rotatable Bond Count | 2 |
| 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