| CAS Number | 1391408-13-1 |
| Catalog Number | AG01DDTW |
| Chemical Name | methyl (2S)-2-amino-2-(2-bromo-4-fluorophenyl)acetate hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-2-(2-bromo-4-fluorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H9BrFNO2.ClH/c1-14-9(13)8(12)6-3-2-5(11)4-7(6)10;/h2-4,8H,12H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | IMZCGWDUKHEOGA-QRPNPIFTSA-N |
| MDL Number | MFCD12911243 |
| Molecular Formula | C9H10BrClFNO2 |
| Molecular Weight | 298.5366 |
| SMILES | O=C(OC)[C@@H](N)C1=CC=C(F)C=C1Br.[H]Cl |
| Synonyms | 1391408-13-1,
MFCD12911243,
Methyl (S)-2-amino-2-(2-bromo-4-fluorophenyl)acetate hydrochloride,
METHYL (2S)-2-AMINO-2-(2-BROMO-4-FLUOROPHENYL)ACETATE HYDROCHLORIDE,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.536g/mol |
| Monoisotopic Mass | 296.957g/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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Certificate of Analysis
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