| CAS Number | 2126161-86-0 |
| Catalog Number | AG01EJOB |
| Chemical Name | ethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate hydrochloride |
| IUPAC Name | ethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C11H12F3NO2.ClH/c1-2-17-9(16)10(15,11(12,13)14)8-6-4-3-5-7-8;/h3-7H,2,15H2,1H3;1H |
| InChI Key | JYMYDTORAQSPMN-UHFFFAOYSA-N |
| MDL Number | MFCD31381158 |
| Molecular Formula | C11H13ClF3NO2 |
| Molecular Weight | 283.6746 |
| SMILES | Cl.CCOC(C(C(F)(F)F)(C1=CC=CC=C1)N)=O |
| Synonyms | AKOS034065818,
ethyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate hydrochloride,
2126161-86-0,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
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