| CAS Number | 1820581-20-1 |
| Catalog Number | AG01FSLQ(AGN-PC-3H608F) |
| Chemical Name | (3R,4S)-4-(2-Chloro-phenyl)pyrrolidine-3-carboxylic acid HCl |
| IUPAC Name | 4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H12ClNO2.ClH/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15;/h1-4,8-9,13H,5-6H2,(H,14,15);1H |
| InChI Key | HMIZFLIRDUIPIS-UHFFFAOYSA-N |
| MDL Number | MFCD06659260 |
| Molecular Formula | C11H13Cl2NO2 |
| Molecular Weight | 262.1324 |
| SMILES | OC(=O)[C@H]1CNC[C@@H]1c1ccccc1Cl.Cl |
| Synonyms | 1820581-20-1,
AK163831,
1049727-60-7,
trans-4-(2-Chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
(+/-)-trans-4-(2-Chloro-phenyl)-pyrrolidine-3-carboxylic acid-HCl,
1392210-64-8,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.032334g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.13g/mol |
| Monoisotopic Mass | 261.032334g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number