| CAS Number | 1780567-10-3 |
| Catalog Number | AG01BUTA |
| Chemical Name | ethyl 4,4-difluoropyrrolidine-3-carboxylate hydrochloride |
| IUPAC Name | ethyl 4,4-difluoropyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H11F2NO2.ClH/c1-2-12-6(11)5-3-10-4-7(5,8)9;/h5,10H,2-4H2,1H3;1H |
| InChI Key | BIEZNVGZPLCNFQ-UHFFFAOYSA-N |
| MDL Number | MFCD30345395 |
| Molecular Formula | C7H12ClF2NO2 |
| Molecular Weight | 215.6255 |
| SMILES | Cl.CCOC(C1C(F)(F)CNC1)=O |
| Synonyms | ethyl 4,4-difluoropyrrolidine-3-carboxylate hcl,
1780567-10-3,
AS-43885,
ethyl 4,4-difluoropyrrolidine-3-carboxylate hydrochloride,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.625g/mol |
| Monoisotopic Mass | 215.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number