| CAS Number | 1212327-46-2 |
| Catalog Number | AG01DM3D |
| Chemical Name | trans-Methyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate hydrochloride |
| IUPAC Name | methyl (3S)-4-(2-chlorophenyl)pyrrolidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H14ClNO2.ClH/c1-16-12(15)10-7-14-6-9(10)8-4-2-3-5-11(8)13;/h2-5,9-10,14H,6-7H2,1H3;1H/t9?,10-;/m1./s1 |
| InChI Key | GPSAQXGZGMSPEQ-FJYJDOHQSA-N |
| MDL Number | MFCD03840069 |
| Molecular Formula | C12H15Cl2NO2 |
| Molecular Weight | 276.1590 |
| SMILES | Cl.COC(=O)[C@@H]1CNC[C@H]1C1=CC=CC=C1Cl |
| Synonyms | TRANS (+/-) 4-(2-CHLOROPHENYL)PYRROLIDINE-3-METHYLCARBOXYLATE HCL,
1212327-46-2,
Trans (+/-) 4-(2-Chlorophenyl)Pyrrolidine-3-Methylcarboxylate Hydrochloride,
AR1385,
MFCD08445573,
AS-45106,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.157g/mol |
| Monoisotopic Mass | 275.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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