| CAS Number | 1505792-20-0 |
| Catalog Number | AG00HXT5(AGN-PC-0WR4CV) |
| Chemical Name | Ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxoacetate |
| IUPAC Name | ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxoacetate |
| InChI | InChI=1S/C11H8F4O3/c1-2-18-10(17)9(16)7-5-6(11(13,14)15)3-4-8(7)12/h3-5H,2H2,1H3 |
| InChI Key | DAORGVRCFOJTQE-UHFFFAOYSA-N |
| MDL Number | MFCD26686631 |
| Molecular Formula | C11H8F4O3 |
| Molecular Weight | 264.1730 |
| SMILES | CCOC(=O)C(=O)c1cc(ccc1F)C(F)(F)F |
| Synonyms | Ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxoacetate,
1505792-20-0,
SCHEMBL15898966,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.176g/mol |
| Monoisotopic Mass | 264.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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