| CAS Number | 208259-49-8 |
| Catalog Number | AG01F2EC(AGN-PC-3H48M0) |
| Chemical Name | Ethyl (3,5-Difluorophenyl)-difluoroacetate |
| IUPAC Name | ethyl 2-(3,5-difluorophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C10H8F4O2/c1-2-16-9(15)10(13,14)6-3-7(11)5-8(12)4-6/h3-5H,2H2,1H3 |
| InChI Key | RDMLTCOKHPCPJA-UHFFFAOYSA-N |
| MDL Number | MFCD11007710 |
| Molecular Formula | C10H8F4O2 |
| Molecular Weight | 236.1629 |
| SMILES | C(C(OCC)=O)(C1=CC(F)=CC(F)=C1)(F)F |
| Synonyms | ethyl 2-(3,5-difluorophenyl)-2,2-difluoroacetate,
208259-49-8,
Ethyl (3,5-Difluorophenyl)-difluoroacetate,
ethyl-2,2-difluoro-2-(3,5-difluorophenyl)acetate,
SCHEMBL5967286,
RDMLTCOKHPCPJA-UHFFFAOYSA-N,
ZINC31829520,
AKOS011682473,
SC-32623,
ethyl 3,5-difluorophenyl-alpha,alpha-difluoroacetate,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.166g/mol |
| Monoisotopic Mass | 236.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number