| CAS Number | 72835-85-9 |
| Catalog Number | AG01AHQG |
| Chemical Name | Ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C12H13FO3/c1-3-16-12(15)7-11(14)9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3 |
| InChI Key | LSARTPXNGZTAKE-UHFFFAOYSA-N |
| MDL Number | MFCD07783536 |
| Molecular Formula | C12H13FO3 |
| Molecular Weight | 224.2282 |
| SMILES | CCOC(CC(C1=CC(C)=C(F)C=C1)=O)=O |
| Synonyms | 72835-85-9,
ethyl 3-(4-fluoro-3-methylphenyl)-3-oxopropanoate,
Ethyl (4-fluoro-3-methylbenzoyl)acetate,
ZINC43501785,
AKOS008148177,
MCULE-7354824209,
NE31934,
EN300-75486,
ETHYL (4-FLUORO-3-METHYLBENZOYL) ACETATE,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.231g/mol |
| Monoisotopic Mass | 224.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number