| CAS Number | 1354970-82-3 |
| Catalog Number | AG019S7Z |
| Chemical Name | methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride |
| IUPAC Name | methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate;hydrochloride |
| InChI | InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1 |
| InChI Key | DGWMURZHACRUMX-SBSPUUFOSA-N |
| MDL Number | MFCD20501995 |
| Molecular Formula | C11H13ClF3NO2 |
| Molecular Weight | 283.6746 |
| SMILES | Cl.N[C@H](CC(=O)OC)C1=CC(=CC=C1)C(F)(F)F |
| Synonyms | methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride,
1354970-82-3,
MCULE-1723557007,
NE47400,
EN300-92137,
Z1297773504,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.675g/mol |
| Monoisotopic Mass | 283.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number