| CAS Number | 1391457-11-6 |
| Catalog Number | AG01EL9A |
| Chemical Name | (S)-Methyl 2-amino-2-(3-bromophenyl)acetate hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-2-(3-bromophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | UYQXPUQVLSXOMR-QRPNPIFTSA-N |
| MDL Number | MFCD12910949 |
| Molecular Formula | C9H11BrClNO2 |
| Molecular Weight | 280.5461 |
| SMILES | Cl.N[C@H](C(=O)OC)C1=CC(=CC=C1)Br |
| Synonyms | 1391457-11-6,
(S)-Methyl 2-amino-2-(3-bromophenyl)acetate HCl,
methyl (2S)-2-amino-2-(3-bromophenyl)acetate hydrochloride,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.546g/mol |
| Monoisotopic Mass | 278.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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