| CAS Number | 1225922-26-8 |
| Catalog Number | AG019RVG |
| Chemical Name | 4-(2-fluorophenyl)-2-methyl-4-oxobutanoic acid |
| IUPAC Name | 4-(2-fluorophenyl)-2-methyl-4-oxobutanoic acid |
| InChI | InChI=1S/C11H11FO3/c1-7(11(14)15)6-10(13)8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,14,15) |
| InChI Key | SDBOBCHEALYEEF-UHFFFAOYSA-N |
| MDL Number | MFCD04972255 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | CC(C(O)=O)CC(C1=C(F)C=CC=C1)=O |
| Synonyms | 4-(2-fluorophenyl)-2-methyl-4-oxobutanoic acid,
1225922-26-8,
AKOS010910468,
MCULE-5553807204,
NE25822,
EN300-90620,
Z1267885906,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.204g/mol |
| Monoisotopic Mass | 210.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number