| CAS Number | 123053-22-5 |
| Catalog Number | AG000K0K(AGN-PC-0WAMNC) |
| Chemical Name | L-Phenylalanine, 3-chloro-, hydrochloride (9CI) |
| IUPAC Name | (2S)-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/t8-;/m0./s1 |
| InChI Key | MLKORXUFSMVSBB-QRPNPIFTSA-N |
| MDL Number | MFCD01075124 |
| Molecular Formula | C9H11Cl2NO2 |
| Molecular Weight | 236.0951 |
| SMILES | O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1.[H]Cl |
| Synonyms | 123053-22-5,
(S)-2-Amino-3-(3-chlorophenyl)propanoic acid hydrochloride,
H-Phe(3-Cl)-OH.HCl,
AK-50137,
KS-00000GGR,
MFCD08600004,
AKOS015891131,
DS-15342,
CS-0041703,
L-Phenylalanine, 3-chloro-, hydrochloride (9CI),
I01-9233,
(2S)-2-amino-3-(3-chlorophenyl)propanoic acid hydrochloride,
L-3-Chlorophenylalanine,
MLKORXUFSMVSBB-QRPNPIFTSA-N,
3-Chloro-L-phenylalanine hydrochloride,
(S)-2-amino-3-(3-chlorophenyl)propanoic acid,
80126-51-8,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number