| CAS Number | 1017294-05-1 |
| Catalog Number | AG0005BH(AGN-PC-0WCYMG) |
| Chemical Name | METHYL N-ACETYL-3-(2,5-DIFLUOROPHENYL)-D-ALANINATE |
| IUPAC Name | methyl (2R)-2-acetamido-3-(2,5-difluorophenyl)propanoate |
| InChI | InChI=1S/C12H13F2NO3/c1-7(16)15-11(12(17)18-2)6-8-5-9(13)3-4-10(8)14/h3-5,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1 |
| InChI Key | MUYYHZGDYKCCAY-LLVKDONJSA-N |
| MDL Number | MFCD08436171 |
| Molecular Formula | C12H13F2NO3 |
| Molecular Weight | 257.2333 |
| SMILES | FC1C=CC(=CC=1C[C@H](C(=O)OC)NC(C)=O)F |
| Synonyms | Methyl N-acetyl-3-(2,5-difluorophenyl)-D-alaninate,
1017294-05-1,
(R)-Methyl 2-acetamido-3-(2,5-difluorophenyl)propanoate,
(r)-2-acetylamino-3-(2,5-difluoro-phenyl)-propionic acid methyl ester,
MFCD08436171,
ZINC12648303,
AS-36346,
AX8266660,
A-2195,
D-Phenylalanine, N-acetyl-2,5-difluoro-, methyl ester,
(R)-2-(Acetylamino)-3-(2,5-difluorophenyl)propanoic acid methyl ester,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.237g/mol |
| Monoisotopic Mass | 257.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number