| CAS Number | 1548413-11-1 |
| Catalog Number | AG01BKE3 |
| Chemical Name | 2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid |
| IUPAC Name | 2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid |
| InChI | InChI=1S/C12H15FO3/c1-3-6-16-11(12(14)15)10-5-4-9(13)7-8(10)2/h4-5,7,11H,3,6H2,1-2H3,(H,14,15) |
| InChI Key | JAOQBJBGAJEPHH-UHFFFAOYSA-N |
| MDL Number | MFCD26021857 |
| Molecular Formula | C12H15FO3 |
| Molecular Weight | 226.2441 |
| SMILES | CCCOC(C1=C(C)C=C(F)C=C1)C(O)=O |
| Synonyms | 2-(4-fluoro-2-methylphenyl)-2-propoxyacetic acid,
1548413-11-1,
AKOS021545688,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.247g/mol |
| Monoisotopic Mass | 226.101g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number