| CAS Number | 120108-62-5 |
| Catalog Number | AG019YI3(AGN-PC-0O011K) |
| Chemical Name | 2-amino-3-(3-chlorophenyl)propanoic acid hydrochloride |
| IUPAC Name | 2-amino-3-(3-chlorophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10ClNO2.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 | MLKORXUFSMVSBB-UHFFFAOYSA-N |
| MDL Number | MFCD08600004 |
| Molecular Formula | C9H11Cl2NO2 |
| Molecular Weight | 236.0951 |
| SMILES | Cl.NC(C(=O)O)CC1=CC(=CC=C1)Cl |
| Synonyms | 2-amino-3-(3-chlorophenyl)propanoic Acid Hydrochloride,
120108-62-5,
2-amino-3-(3-chlorophenyl)propionic acid hydrochloride,
AK-50137,
DTXSID80462329,
AKOS016904158,
MCULE-8409034063,
NE26345,
RP28219,
ST025312,
2-amino-3-(3-chlorophenyl)propanoic acid, chloride,
2-AMINO-3-(3-CHLOROPHENYL)PROPANOIC ACID HCL,
Z1374884687,
3-Chloro-D-phenylalanine hydrochloride,
CID11322301,
(S)-2-Amino-3-(3-chlorophenyl)propanoic acid hydrochloride,
2-amino-3-(3-chlorophenyl)propanoic acid,hydrochloride,
123053-22-5,
457654-74-9,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.092g/mol |
| Monoisotopic Mass | 235.017g/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