| CAS Number | 1043500-58-8 |
| Catalog Number | AG008X8V(AGN-PC-0WAOCE) |
| Chemical Name | 2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine |
| IUPAC Name | 2-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanoic acid |
| InChI | InChI=1S/C10H9F4NO2/c11-7-3-1-2-6(10(12,13)14)5(7)4-8(15)9(16)17/h1-3,8H,4,15H2,(H,16,17) |
| InChI Key | KZEQREVOLXIGHG-UHFFFAOYSA-N |
| MDL Number | MFCD04115999 |
| Molecular Formula | C10H9F4NO2 |
| Molecular Weight | 251.1776 |
| SMILES | C(F)(F)(F)C1=CC=CC(F)=C1CC(N)C(O)=O |
| Synonyms | 2-FLUORO-6-(TRIFLUOROMETHYL)-DL-PHENYLALANINE,
1043500-58-8,
2-Amino-3-(2-fluoro-6-(trifluoromethyl)phenyl)propanoic acid,
2-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanoic Acid,
AC1MVDI9,
CTK7D4114,
MFCD04115999,
SBB100910,
AKOS015956772,
PC302136,
2-amino-3-[6-fluoro-2-(trifluoromethyl)phenyl]propanoic acid,
CID3681555,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.181g/mol |
| Monoisotopic Mass | 251.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number