| CAS Number | 916602-09-0 |
| Catalog Number | AG00IGTS(AGN-PC-0VUA7H) |
| Chemical Name | Methyl L-2-(4-fluorophenyl)glycinate HCl |
| IUPAC Name | methyl (2S)-2-amino-2-(4-fluorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H10FNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | JLGSKYIBZLQSFR-QRPNPIFTSA-N |
| MDL Number | MFCD12910960 |
| Molecular Formula | C9H11ClFNO2 |
| Molecular Weight | 219.6405 |
| SMILES | O=C(OC)[C@@H](N)C1=CC=C(F)C=C1.[H]Cl |
| Synonyms | 916602-09-0,
Methyl L-2-(4-fluorophenyl)glycinate HCl,
(S)-methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride,
Methyl L-2-(4-fluorophenyl)glycinate hydrochloride,
SCHEMBL1432766,
DTXSID00725443,
MFCD12910960,
AS-38094,
AX8232577,
W6306,
A-2224,
213M226,
(S)-Methyl 2-amino-2-(4-fluorophenyl)acetate HCl,
Methyl (2S)-amino(4-fluorophenyl)acetate--hydrogen chloride (1/1),
C9H11ClFNO2,
Methyl D-2-(4-fluorophenyl)glycinate HCl,
Methyl D-2-(4-fluorophenyl)glycinate hydrochloride,
439213-22-6,
170902-74-6,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.64g/mol |
| Monoisotopic Mass | 219.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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