| CAS Number | 73789-95-4 |
| Catalog Number | AG00ICG0(AGN-PC-0WOJ46) |
| Chemical Name | Ethyl 2-(3,4-difluorophenyl)-2,2-difluoroacetate |
| IUPAC Name | ethyl 2-(3,4-difluorophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C10H8F4O2/c1-2-16-9(15)10(13,14)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3 |
| InChI Key | GUAAKHWBEHBVKT-UHFFFAOYSA-N |
| MDL Number | MFCD11007709 |
| Molecular Formula | C10H8F4O2 |
| Molecular Weight | 236.1629 |
| SMILES | C(C(OCC)=O)(C1=CC(F)=C(F)C=C1)(F)F |
| Synonyms | 73789-95-4,
ethyl 2-(3,4-difluorophenyl)-2,2-difluoroacetate,
Ethyl (3,4-Difluorophenyl)-difluoroacetate,
ethyl-2,2-difluoro-2-(3,4-difluorophenyl)acetate,
SCHEMBL4517039,
GUAAKHWBEHBVKT-UHFFFAOYSA-N,
ZINC31829519,
AKOS012097745,
FS-6154,
SY038860,
MFCD11007709 (95%),
(3,4-difluoro-phenyl)-difluoro-acetic acid ethyl ester,
|
| Complexity | 257 |
| 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