| CAS Number | 147890-64-0 |
| Catalog Number | AG01EL6L(AGN-PC-0O3LZA) |
| Chemical Name | methyl 2-amino-3-(2-bromophenyl)propanoate hydrochloride |
| IUPAC Name | methyl 2-amino-3-(2-bromophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H |
| InChI Key | RONHJWCWYGBEPT-UHFFFAOYSA-N |
| MDL Number | MFCD31456934 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | Cl.COC(C(CC1=C(Br)C=CC=C1)N)=O |
| Synonyms | (S)-Methyl 2-amino-3-(2-bromophenyl)propanoate HCl,
methyl 2-amino-3-(2-bromophenyl)propanoate hydrochloride,
147890-64-0,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.573g/mol |
| Monoisotopic Mass | 292.982g/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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