| CAS Number | 1391379-45-5 |
| Catalog Number | AG01A6DG |
| Chemical Name | methyl (3S)-3-amino-3-(3-bromophenyl)propanoate hydrochloride |
| IUPAC Name | methyl (3S)-3-amino-3-(3-bromophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1 |
| InChI Key | PKCPLSGPTCTEMS-FVGYRXGTSA-N |
| MDL Number | MFCD12911006 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | O=C(OC)C[C@H](N)C1=CC=CC(Br)=C1.[H]Cl |
| Synonyms | (S)-METHYL 3-AMINO-3-(3-BROMOPHENYL)PROPANOATE HCL,
1391379-45-5,
methyl (3S)-3-amino-3-(3-bromophenyl)propanoate hydrochloride,
MFCD12911006,
AKOS027329770,
NE42867,
AS-36847,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number