| CAS Number | 1785367-71-6 |
| Catalog Number | AG01BBLM |
| Chemical Name | 3,3-Difluoropiperidine-4-carboxylic Acid Hydrochloride |
| IUPAC Name | 3,3-difluoropiperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H9F2NO2.ClH/c7-6(8)3-9-2-1-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H |
| InChI Key | KLTNSWQCMQTWFW-UHFFFAOYSA-N |
| MDL Number | MFCD28501925 |
| Molecular Formula | C6H10ClF2NO2 |
| Molecular Weight | 201.5989 |
| SMILES | Cl.OC(C1C(F)(F)CNCC1)=O |
| Synonyms | 3,3-difluoropiperidine-4-carboxylic acid hydrochloride,
1785367-71-6,
3,3-Difluoropiperidine-4-carboxylic acid HCl,
MFCD28501925,
SB15682,
AS-52346,
CS-0091788,
3,3-difluoropiperidine-4-carboxylicacidhydrochloride,
1303974-04-0,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.598g/mol |
| Monoisotopic Mass | 201.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number