| CAS Number | 1266784-23-9 |
| Catalog Number | AG009ZL1(AGN-PC-0WOQBA) |
| Chemical Name | 2-Amino-2-(5-bromo-2-fluorophenyl)propanoic acid |
| IUPAC Name | 2-amino-2-(5-bromo-2-fluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H9BrFNO2/c1-9(12,8(13)14)6-4-5(10)2-3-7(6)11/h2-4H,12H2,1H3,(H,13,14) |
| InChI Key | VCZKYBUARMRRAA-UHFFFAOYSA-N |
| MDL Number | MFCD18696039 |
| Molecular Formula | C9H9BrFNO2 |
| Molecular Weight | 262.0757 |
| SMILES | CC(C1=C(F)C=CC(Br)=C1)(C(O)=O)N |
| Synonyms | 2-AMINO-2-(5-BROMO-2-FLUOROPHENYL)PROPANOIC ACID,
1266784-23-9,
rac-2-amino-2-(5-bromo-2-fluoro-phenyl)-propionic acid,
SCHEMBL246150,
VCZKYBUARMRRAA-UHFFFAOYSA-N,
2-(5-bromo-2-fluorophenyl)alanine,
MFCD18696039,
AKOS017549361,
BS-12480,
2-Amino-2-(5-bromo-2-fluoro-phenyl)-propionic acid,
Z1966492233,
(RS)-2-amino-2-(5-bromo-2-fluoro-phenyl)-propionic acid,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.078g/mol |
| Monoisotopic Mass | 260.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number