| CAS Number | 1027513-96-7 |
| Catalog Number | AG01F2NC(AGN-PC-3H48NA) |
| Chemical Name | Ethyl 2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)acetate |
| InChI | InChI=1S/C11H11F3O3/c1-3-17-10(15)11(13,14)7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3 |
| InChI Key | RLGRYXBKWHWYTM-UHFFFAOYSA-N |
| MDL Number | MFCD11007698 |
| Molecular Formula | C11H11F3O3 |
| Molecular Weight | 248.1984 |
| SMILES | C(F)(F)(C(OCC)=O)C1C=CC(OC)=C(F)C=1 |
| Synonyms | 1027513-96-7,
Ethyl Difluoro-(3-fluoro-4-methoxyphenyl)acetate,
ethyl-2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)acetate,
ethyl 2,2-difluoro-2-(3-fluoro-4-methoxyphenyl)acetate,
CTK6F3923,
ZINC31829510,
AKOS006132804,
FS-6432,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.201g/mol |
| Monoisotopic Mass | 248.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number