| CAS Number | 1049728-08-6 |
| Catalog Number | AG008T72(AGN-PC-0WBO7H) |
| Chemical Name | (R)-2-(4-(Trifluoromethyl)Benzyl)Pyrrolidine-2-Carboxylic Acid Hydrochloride |
| IUPAC Name | (2R)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-9(3-5-10)8-12(11(18)19)6-1-7-17-12;/h2-5,17H,1,6-8H2,(H,18,19);1H/t12-;/m1./s1 |
| InChI Key | AKTXKRXWSYGYJW-UTONKHPSSA-N |
| MDL Number | MFCD06796801 |
| Molecular Formula | C13H15ClF3NO2 |
| Molecular Weight | 309.7119 |
| SMILES | Cl.FC(C1=CC=C(C[C@@]2(NCCC2)C(=O)O)C=C1)(F)F |
| Synonyms | 1049728-08-6,
(R)-2-(4-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid hydrochloride,
(R)-alpha-(4-trifluoromethyl-benzyl)-proline-HCl,
AC1MC60E,
DTXSID80375980,
1104AA,
MFCD06796801,
AKOS015949614,
(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic Acid Hydrochloride,
PS-12597,
AX8245725,
K-0447,
(R)-alpha-(4-trifluoromethylbenzyl)-proline-HCl,
(2R)-2-[4-(trifluoromethyl)benzyl]proline;hydrochloride,
2-{[4-(Trifluoromethyl)phenyl]methyl}-L-proline--hydrogen chloride (1/1),
(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid;hydrochloride,
(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride,
C13H15ClF3NO2,
CID2761901,
(R)-ALPHA-(4-TRIFLUOROMETHYL-BENZYL)-PROLINE HYDROCHLORIDE,
(R)-2-(4-(Trifluoromethyl)benzyl)pyrrolidine-2-carboxylicacidhydrochloride,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.713g/mol |
| Monoisotopic Mass | 309.074g/mol |
| Rotatable Bond Count | 3 |
| 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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