| CAS Number | 1803571-52-9 |
| Catalog Number | AG01BGQJ(AGN-PC-0WOT7H) |
| Chemical Name | 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H13F2NO2.ClH/c9-7(10)5-11-3-1-6(2-4-11)8(12)13;/h6-7H,1-5H2,(H,12,13);1H |
| InChI Key | HALDFWKOLPHLMI-UHFFFAOYSA-N |
| MDL Number | MFCD28125220 |
| Molecular Formula | C8H14ClF2NO2 |
| Molecular Weight | 229.6521 |
| SMILES | Cl.OC(C1CCN(CC(F)F)CC1)=O |
| Synonyms | 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid hydrochloride,
1803571-52-9,
AKOS026742959,
Z1992316337,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.652g/mol |
| Monoisotopic Mass | 229.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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