| CAS Number | 1049727-56-1 |
| Catalog Number | AG00946H(AGN-PC-0WAGEB) |
| Chemical Name | (3S,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | (3S,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H12FNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10+;/m0./s1 |
| InChI Key | ABOVCUXVEBGHCL-BAUSSPIASA-N |
| MDL Number | MFCD06659259 |
| Molecular Formula | C11H13ClFNO2 |
| Molecular Weight | 245.6778 |
| SMILES | Cl.FC1=CC=C(C=C1)[C@H]1[C@@H](CNC1)C(=O)O |
| Synonyms | (3S,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
1049727-56-1,
1330750-50-9,
Trans-4-(4-Fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
AC1MC6C5,
(+/-)-trans-4-(4-Fluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride,
CTK8B7085,
DTXSID20376077,
ANW-56342,
AKOS015949625,
PS-12687,
TC-145087,
(+/-)-trans-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid-HCl,
ACN-026406,
CID2762101,
H-trans-DL-b-Pro-4-(4-fluorophenyl)-OH HCl,
(3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic Acid Hydrochloride,
(+/-)-TRANS-4-(4-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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