| CAS Number | 1803585-32-1 |
| Catalog Number | AG01ALY6 |
| Chemical Name | 3-FLUORO-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID (HYDROCHLORIDE) |
| IUPAC Name | 3-fluoro-4-phenylpyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H12FNO2.ClH/c12-11(10(14)15)7-13-6-9(11)8-4-2-1-3-5-8;/h1-5,9,13H,6-7H2,(H,14,15);1H |
| InChI Key | ZHCFNCOCOQQZCY-UHFFFAOYSA-N |
| MDL Number | MFCD28968298 |
| Molecular Formula | C11H13ClFNO2 |
| Molecular Weight | 245.6778 |
| SMILES | OC(C1(CNCC1C2=CC=CC=C2)F)=O.Cl |
| Synonyms | 1803585-32-1,
3-fluoro-4-phenylpyrrolidine-3-carboxylic acid hydrochloride,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.678g/mol |
| Monoisotopic Mass | 245.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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