| CAS Number | 1244781-14-3 |
| Catalog Number | AG01C46B |
| Chemical Name | rac-methyl (3R,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate hydrochloride |
| IUPAC Name | methyl (3S,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H13F2NO2.ClH/c1-17-12(16)10-6-15-5-9(10)8-3-2-7(13)4-11(8)14;/h2-4,9-10,15H,5-6H2,1H3;1H/t9-,10-;/m1./s1 |
| InChI Key | ZOYYJSSNVZTJPG-DHTOPLTISA-N |
| MDL Number | MFCD28411285 |
| Molecular Formula | C12H14ClF2NO2 |
| Molecular Weight | 277.6949 |
| SMILES | Cl.COC([C@H]1[C@H](C2=C(F)C=C(F)C=C2)CNC1)=O |
| Synonyms | rac-methyl (3R,4S)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate hydrochloride, trans,
1244781-14-3,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.696g/mol |
| Monoisotopic Mass | 277.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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