| CAS Number | 324028-12-8 |
| Catalog Number | AG00BZSW(AGN-PC-0O8X0U) |
| Chemical Name | N-acetyl-3-(3,4,5-trifluorophenyl)-d-alanine |
| IUPAC Name | (2R)-2-acetamido-3-(3,4,5-trifluorophenyl)propanoic acid |
| InChI | InChI=1S/C11H10F3NO3/c1-5(16)15-9(11(17)18)4-6-2-7(12)10(14)8(13)3-6/h2-3,9H,4H2,1H3,(H,15,16)(H,17,18)/t9-/m1/s1 |
| InChI Key | MJBCGFLRYSZAPQ-SECBINFHSA-N |
| MDL Number | MFCD09991567 |
| Molecular Formula | C11H10F3NO3 |
| Molecular Weight | 261.1972 |
| SMILES | O=C(O)[C@@H](CC1=CC(F)=C(F)C(F)=C1)NC(C)=O |
| Synonyms | 324028-12-8,
N-Acetyl-3-(3,4,5-trifluorophenyl)-D-alanine,
(R)-2-Acetylamino-3-(3,4,5-trifluoro-phenyl)-propionic acid,
CTK4G8635,
DTXSID90650614,
ACT10788,
MFCD09991567,
ZINC16696790,
ACM324028128,
AJ-69169,
N-Acetyl-3,4,5-trifluoro-D-phenylalanine,
(R)-(3,4,5-trifluoro-phenyl)-2-Acetylamino-propionic acid,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.2g/mol |
| Monoisotopic Mass | 261.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number