| CAS Number | 1181457-89-5 |
| Catalog Number | AG019VHE |
| Chemical Name | 1-[(3-Fluoro-4-methylphenyl)carbonyl]piperazine hydrochloride |
| IUPAC Name | (3-fluoro-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C12H15FN2O.ClH/c1-9-2-3-10(8-11(9)13)12(16)15-6-4-14-5-7-15;/h2-3,8,14H,4-7H2,1H3;1H |
| InChI Key | SIHJOWSVHCATNJ-UHFFFAOYSA-N |
| MDL Number | MFCD12197176 |
| Molecular Formula | C12H16ClFN2O |
| Molecular Weight | 258.7196 |
| SMILES | Cl.CC1=C(F)C=C(C(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-(3-fluoro-4-methylbenzoyl)piperazine hydrochloride,
1181457-89-5,
1-[(3-fluoro-4-methylphenyl)carbonyl]piperazine hydrochloride,
(3-fluoro-4-methylphenyl)(piperazin-1-yl)methanone hydrochloride,
AC1Q39CI,
SCHEMBL623790,
CTK7F6574,
SIHJOWSVHCATNJ-UHFFFAOYSA-N,
AKOS026852204,
MCULE-1849150307,
NE15490,
EN300-45253,
A1-09306,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.721g/mol |
| Monoisotopic Mass | 258.094g/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