| CAS Number | 915133-57-2 |
| Catalog Number | AG01F3GS(AGN-PC-3H48PA) |
| Chemical Name | Ethyl-2,2-difluoro-2-(3-methoxyphenyl) acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate |
| InChI | InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-5-4-6-9(7-8)15-2/h4-7H,3H2,1-2H3 |
| InChI Key | YPPCAEMLMPUOIM-UHFFFAOYSA-N |
| MDL Number | MFCD11007702 |
| Molecular Formula | C11H12F2O3 |
| Molecular Weight | 230.2080 |
| SMILES | CCOC(=O)C(C1=CC(=CC=C1)OC)(F)F |
| Synonyms | Ethyl Difluoro-(3-methoxyphenyl)acetate,
915133-57-2,
Ethyl difluoro(3-methoxyphenyl)acetate,
ethyl-2,2-difluoro-2-(3-methoxyphenyl)acetate,
ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate,
SCHEMBL2011761,
CTK6F3958,
DTXSID70653441,
YPPCAEMLMPUOIM-UHFFFAOYSA-N,
ZINC31829513,
AKOS011681235,
(3-Methoxyphenyl)difluoroacetic acid ethyl ester,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.211g/mol |
| Monoisotopic Mass | 230.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number