| CAS Number | 1820674-06-3 |
| Catalog Number | AG01AMOM |
| Chemical Name | 3-(difluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H9F2NO2.ClH/c7-4(8)6(5(10)11)1-2-9-3-6;/h4,9H,1-3H2,(H,10,11);1H |
| InChI Key | GMOUEUYOXNWQPS-UHFFFAOYSA-N |
| MDL Number | MFCD29033964 |
| Molecular Formula | C6H10ClF2NO2 |
| Molecular Weight | 201.5989 |
| SMILES | Cl.OC(C1(C(F)F)CNCC1)=O |
| Synonyms | 1820674-06-3,
3-(difluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride,
AKOS033861133,
Z2306626516,
|
| Complexity | 174 |
| 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 | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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