| CAS Number | 191725-90-3 |
| Catalog Number | AG01EK88(AGN-PC-0QKP7I) |
| Chemical Name | (2S)-2-(4-fluorophenyl)propanoic acid |
| IUPAC Name | (2S)-2-(4-fluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1 |
| InChI Key | IXSCGBODJGIJNN-LURJTMIESA-N |
| MDL Number | MFCD17215398 |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.1650 |
| SMILES | FC1=CC=C(C=C1)[C@@H](C(=O)O)C |
| Synonyms | (2S)-2-(4-fluorophenyl)propanoic acid,
191725-90-3,
(S)-2-(4-Fluorophenyl)propanoic acid,
AC1OCUBU,
AMBZ0438,
SCHEMBL4767889,
Benzeneacetic acid, 4-fluoro-alpha-methyl-, (alphaS)-,
IXSCGBODJGIJNN-LURJTMIESA-N,
ZINC394727,
AJ-21420,
DB-065754,
(S)-alpha-Methyl-4-fluorobenzeneacetic acid,
FT-0772465,
2-(4-Fluorophenyl)propionic acid,
CID6950752,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.167g/mol |
| Monoisotopic Mass | 168.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number