| CAS Number | 128834-02-6 |
| Catalog Number | AG01AG7R |
| Chemical Name | 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(3-bromophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10BrNO2.ClH/c10-7-3-1-2-6(4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H |
| InChI Key | MRWIBMCVLBZBLR-UHFFFAOYSA-N |
| MDL Number | MFCD22691222 |
| Molecular Formula | C9H11BrClNO2 |
| Molecular Weight | 280.5461 |
| SMILES | Cl.NC(C(O)=O)CC1=CC(Br)=CC=C1 |
| Synonyms | 2-amino-3-(3-bromophenyl)propanoic acid hydrochloride,
128834-02-6,
SCHEMBL20502134,
MCULE-2348274001,
NE31702,
Z1770192944,
3-bromophenylalanine-hydrochloride,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number