| CAS Number | 906813-62-5 |
| Catalog Number | AG00IG9K(AGN-PC-0WOK4R) |
| Chemical Name | (S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride |
| IUPAC Name | (2S)-2-amino-3-(4-nitrophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10N2O4.ClH/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H/t8-;/m0./s1 |
| InChI Key | XNPWOQZTJFYSEI-QRPNPIFTSA-N |
| MDL Number | MFCD21604237 |
| Molecular Formula | C9H11ClN2O4 |
| Molecular Weight | 246.6476 |
| SMILES | OC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N.Cl |
| Synonyms | 906813-62-5,
H-D-Phe(4-NO2)-OH.HCl,
(S)-2-Amino-3-(4-nitrophenyl)propanoic acid hydrochloride,
SCHEMBL2724117,
AKOS022182841,
XNPWOQZTJFYSEI-QRPNPIFTSA-N,
4-Nitro-L-phenylalanine hydrochloride (1:1),
147065-06-3,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.647g/mol |
| Monoisotopic Mass | 246.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number