| CAS Number | 1027514-18-6 |
| Catalog Number | AG01F2PM(AGN-PC-3H48NF) |
| Chemical Name | Ethyl (3-Chloro-4-fluorophenyl)difluoroacetate |
| IUPAC Name | ethyl 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C10H8ClF3O2/c1-2-16-9(15)10(13,14)6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3 |
| InChI Key | ANXWAYKMMWYYFN-UHFFFAOYSA-N |
| MDL Number | MFCD11007718 |
| Molecular Formula | C10H8ClF3O2 |
| Molecular Weight | 252.6175 |
| SMILES | C(C(OCC)=O)(C1=CC=C(F)C(Cl)=C1)(F)F |
| Synonyms | 1027514-18-6,
Ethyl (3-Chloro-4-fluorophenyl)difluoroacetate,
ethyl-2,2-difluoro-2-(3-chloro-4-fluorophenyl)acetate,
ethyl 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetate,
ZINC31829528,
AKOS025212310,
FS-6130,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.617g/mol |
| Monoisotopic Mass | 252.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number