| CAS Number | 1049978-59-7 |
| Catalog Number | AG008UHR(AGN-PC-0NVYQT) |
| Chemical Name | trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | (3R,4S)-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H12F3NO2.ClH/c13-12(14,15)10-4-2-1-3-7(10)8-5-16-6-9(8)11(17)18;/h1-4,8-9,16H,5-6H2,(H,17,18);1H/t8-,9+;/m1./s1 |
| InChI Key | YSYNBLMPHGKCFM-RJUBDTSPSA-N |
| MDL Number | MFCD06804651 |
| Molecular Formula | C12H13ClF3NO2 |
| Molecular Weight | 295.6853 |
| SMILES | O=C([C@H]1CNC[C@@H]1C2=CC=CC=C2C(F)(F)F)O.[H]Cl |
| Synonyms | 1049978-59-7,
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride,
Trans-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid-HCl,
(+/-)-trans-4-(2-Trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid HCl,
(3R,4S)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride,
AK-42076,
1172AA,
AKOS015924281,
DS-14020,
AB0000600,
AX8209426,
AX8333652,
ST2407769,
B-1877,
C12H13ClF3NO2,
(+/-)-TRANS-4-(2-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.686g/mol |
| Monoisotopic Mass | 295.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number