| CAS Number | 1306603-76-8 |
| Catalog Number | AG01AIEV |
| Chemical Name | 4-[(2,4,6-Trifluorophenyl)carbonyl]piperidine hydrochloride |
| IUPAC Name | piperidin-4-yl-(2,4,6-trifluorophenyl)methanone;hydrochloride |
| InChI | InChI=1S/C12H12F3NO.ClH/c13-8-5-9(14)11(10(15)6-8)12(17)7-1-3-16-4-2-7;/h5-7,16H,1-4H2;1H |
| InChI Key | UFFKNXPLOXWBBU-UHFFFAOYSA-N |
| MDL Number | MFCD18839039 |
| Molecular Formula | C12H13ClF3NO |
| Molecular Weight | 279.6859 |
| SMILES | Cl.FC1=CC(F)=C(C(C2CCNCC2)=O)C(F)=C1 |
| Synonyms | 4-(2,4,6-trifluorobenzoyl)piperidine hydrochloride,
1306603-76-8,
4-[(2,4,6-trifluorophenyl)carbonyl]piperidine hydrochloride,
SCHEMBL15566232,
AKOS008103751,
MCULE-5173031287,
NE35107,
EN300-77625,
Z1268152344,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.687g/mol |
| Monoisotopic Mass | 279.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number