| CAS Number | 457654-69-2 |
| Catalog Number | AG00I8JC(AGN-PC-0WOIIK) |
| Chemical Name | (S)-2-Amino-3-(2-fluoro-phenyl)-propionic acid methyl ester, HCl |
| IUPAC Name | methyl (2S)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1 |
| InChI Key | QTBXLWIDAKRUBJ-FVGYRXGTSA-N |
| MDL Number | MFCD08458514 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | COC(=O)[C@H](Cc1ccccc1F)N.Cl |
| Synonyms | 457654-69-2,
(S)-2-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID METHYL ESTER, HCL,
SCHEMBL1068706,
5049AH,
KM5632,
MFCD08458514,
AKOS015996002,
2-Fluoro-L-phenylalanine methyl ester hydrochloride,
2-fluoro-L-phenylalanine methyl ester hydrochloride, AldrichCPR,
(S)-2-Amino-3-(2-fluoro-phenyl)-propionic acid methyl ester, hydrochloride,
C10H12FNO2.HCl,
(S)-Methyl 2-amino-3-(2-fluorophenyl)propanoate hydrochloride,
(S)-2-Amino-3-(2-fluoro-phenyl)-propionic acid methyl ester hydrochloride,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^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