| CAS Number | 737772-44-0 |
| Catalog Number | AG00ICFW(AGN-PC-0U3VD4) |
| Chemical Name | Ethyl 2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoate |
| IUPAC Name | ethyl 2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoate |
| InChI | InChI=1S/C13H11F3O4/c1-2-20-12(19)11(18)7-10(17)8-5-3-4-6-9(8)13(14,15)16/h3-6H,2,7H2,1H3 |
| InChI Key | CSIYGIMIOPJOBG-UHFFFAOYSA-N |
| MDL Number | MFCD11046243 |
| Molecular Formula | C13H11F3O4 |
| Molecular Weight | 288.2192 |
| SMILES | CCOC(=O)C(=O)CC(=O)c1ccccc1C(F)(F)F |
| Synonyms | 737772-44-0,
ethyl 2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoate,
Ethyl 2,4-dioxo-4-(2-(trifluoromethyl)phenyl)butanoate,
AC1Q31XJ,
SCHEMBL1738337,
CTK6F3419,
MFCD11046243,
AKOS000210741,
ZINC100025916,
MCULE-4301257927,
EN300-54771,
Z234894011,
Benzenebutanoic acid, a,g-dioxo-2-(trifluoromethyl)-, ethyl ester,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.222g/mol |
| Monoisotopic Mass | 288.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number