| CAS Number | 1187890-39-6 |
| Catalog Number | AG01AHE7 |
| Chemical Name | 1-(3-Fluorobenzoyl)piperazine hydrochloride |
| IUPAC Name | (3-fluorophenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C11H13FN2O.ClH/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14;/h1-3,8,13H,4-7H2;1H |
| InChI Key | ZUBDMKCDLYCUGU-UHFFFAOYSA-N |
| MDL Number | MFCD14583049 |
| Molecular Formula | C11H14ClFN2O |
| Molecular Weight | 244.6931 |
| SMILES | Cl.FC1=CC(C(N2CCNCC2)=O)=CC=C1 |
| Synonyms | 1-(3-Fluorobenzoyl)piperazine hydrochloride,
1187890-39-6,
1-[(3-fluorophenyl)carbonyl]piperazine hydrochloride,
SCHEMBL222679,
ZUBDMKCDLYCUGU-UHFFFAOYSA-N,
AKOS016397726,
MCULE-2603932120,
NE20045,
EN300-74431,
(3-fluorophenyl)piperazin-1-ylmethanone hydrochloride,
(3-fluoro-phenyl)-piperazin-1-yl-methanone.hydrochloride,
(3-Fluorophenyl)(piperazin-1- yl)methanone hydrochloride,
|
| Complexity | 229 |
| 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 | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number