| CAS Number | 1027514-23-3 |
| Catalog Number | AG01F2OO(AGN-PC-3H48NG) |
| Chemical Name | Ethyl Difluoro-(3-fluoro-4-methylphenyl)acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(3-fluoro-4-methylphenyl)acetate |
| InChI | InChI=1S/C11H11F3O2/c1-3-16-10(15)11(13,14)8-5-4-7(2)9(12)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | OMTJCZYVYRPDAW-UHFFFAOYSA-N |
| MDL Number | MFCD11007721 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.199 |
| SMILES | C(C(OCC)=O)(C1=CC=C(C)C(F)=C1)(F)F |
| Synonyms | Ethyl Difluoro-(3-fluoro-4-methylphenyl)acetate,
1027514-23-3,
CTK6F3922,
ZINC31829531,
ethyl-2,2-difluoro-2-(3-fluoro-4-methylphenyl)acetate,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.202g/mol |
| Monoisotopic Mass | 232.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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