| CAS Number | 1803612-25-0 |
| Catalog Number | AG01BAWP |
| Chemical Name | 1-Benzyl-4,4-difluoropiperidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-benzyl-4,4-difluoropiperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H15F2NO2.ClH/c14-13(15)6-7-16(9-11(13)12(17)18)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,17,18);1H |
| InChI Key | QSTWQLABJNVIMX-UHFFFAOYSA-N |
| MDL Number | MFCD28714548 |
| Molecular Formula | C13H16ClF2NO2 |
| Molecular Weight | 291.7214 |
| SMILES | Cl.OC(C1C(F)(F)CCN(CC2=CC=CC=C2)C1)=O |
| Synonyms | 1-benzyl-4,4-difluoropiperidine-3-carboxylic acid hydrochloride,
1803612-25-0,
AKOS033759289,
Z2092369347,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.723g/mol |
| Monoisotopic Mass | 291.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number