| CAS Number | 930769-56-5 |
| Catalog Number | AG01AA6M |
| Chemical Name | (3S)-3-amino-3-(4-bromophenyl)propanoic acid hydrochloride |
| IUPAC Name | (3S)-3-amino-3-(4-bromophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10BrNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1 |
| InChI Key | UDMBAXSJPLSJGM-QRPNPIFTSA-N |
| MDL Number | MFCD03427846 |
| Molecular Formula | C9H11BrClNO2 |
| Molecular Weight | 280.5461 |
| SMILES | c1cc(ccc1[C@H](CC(=O)O)N)Br.Cl |
| Synonyms | 930769-56-5,
(3S)-3-amino-3-(4-bromophenyl)propanoic acid hydrochloride,
(S)-3-Amino-3-(4-bromophenyl)propanoic acid hydrochloride,
AC1Q3CI8,
MFCD03427846,
AKOS022182893,
MCULE-6903403380,
NE42117,
DS-15941,
EN300-67205,
(S)-3-Amino-3-(4-bromophenyl)propanoic acid HCl,
Z1696824108,
|
| Complexity | 179 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.546g/mol |
| Monoisotopic Mass | 278.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number