| CAS Number | 1706431-62-0 |
| Catalog Number | AG00VRQO(AGN-PC-0WAOYA) |
| Chemical Name | 4-Chloro-3,5-difluoro-DL-phenylalanine |
| IUPAC Name | 2-amino-3-(4-chloro-3,5-difluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H8ClF2NO2/c10-8-5(11)1-4(2-6(8)12)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15) |
| InChI Key | DAAWRQXSPDLJGK-UHFFFAOYSA-N |
| MDL Number | MFCD23795327 |
| Molecular Formula | C9H8ClF2NO2 |
| Molecular Weight | 235.6151 |
| SMILES | C(O)(=O)C(CC1=CC(F)=C(Cl)C(F)=C1)N |
| Synonyms | 4-Chloro-3,5-difluoro-DL-phenylalanine,
1706431-62-0,
2-Amino-3-(4-chloro-3,5-difluorophenyl)propanoic acid,
MFCD23795327,
PC302576,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.615g/mol |
| Monoisotopic Mass | 235.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number