| CAS Number | 1226233-97-1 |
| Catalog Number | AG01DU3B(AGN-PC-3H45D8) |
| Chemical Name | Methyl 5'-fluoro-2'-methoxybenzoylacetate |
| IUPAC Name | methyl 3-(5-fluoro-2-methoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C11H11FO4/c1-15-10-4-3-7(12)5-8(10)9(13)6-11(14)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | FGOBBRCAZWBYNX-UHFFFAOYSA-N |
| MDL Number | MFCD16313864 |
| Molecular Formula | C11H11FO4 |
| Molecular Weight | 226.2010 |
| SMILES | COC(CC(C1=C(OC)C=CC(F)=C1)=O)=O |
| Synonyms | METHYL 3-(5-FLUORO-2-METHOXYPHENYL)-3-OXOPROPANOATE,
1226233-97-1,
MFCD16313864,
ZINC41246781,
AKOS030628424,
Methyl 5'-fluoro-2'-methoxybenzoylacetate,
CS-0039358,
Benzenepropanoic acid, 5-fluoro-2-methoxy-|A-oxo-, methyl ester,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.203g/mol |
| Monoisotopic Mass | 226.064g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number