| CAS Number | 1214343-64-2 |
| Catalog Number | AG01BJI8 |
| Chemical Name | 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid |
| IUPAC Name | 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid |
| InChI | InChI=1S/C9H9FO3/c1-5-4-6(10)2-3-7(5)8(11)9(12)13/h2-4,8,11H,1H3,(H,12,13) |
| InChI Key | SYTCPNHRLOCIBY-UHFFFAOYSA-N |
| MDL Number | MFCD13194357 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | CC1=C(C(C(O)=O)O)C=CC(F)=C1 |
| Synonyms | 2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid,
1214343-64-2,
4-Fluoro-2-methylmandelic acid,
AKOS011415073,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number