| CAS Number | 1027514-13-1 |
| Catalog Number | AG01DELW |
| Chemical Name | Ethyl4-(tert-Butyl)-alpha,alpha-difluorophenylacetate |
| IUPAC Name | ethyl 2-(4-tert-butylphenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C14H18F2O2/c1-5-18-12(17)14(15,16)11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChI Key | WZGDUQNRJSHKRC-UHFFFAOYSA-N |
| MDL Number | MFCD11007714 |
| Molecular Formula | C14H18F2O2 |
| Molecular Weight | 256.2883 |
| SMILES | C(C(OCC)=O)(C1=CC=C(C(C)(C)C)C=C1)(F)F |
| Synonyms | 1027514-13-1,
Ethyl (4-tert-Butylphenyl)difluoroacetate,
ethyl-2,2-difluoro-2-(4-tert-butylphenyl)acetate,
Ethyl 4-(tert-Butyl)-alpha,alpha-difluorophenylacetate,
ZINC31829524,
AKOS006097244,
FS-6158,
SY038861,
MFCD11007714 (95%),
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.293g/mol |
| Monoisotopic Mass | 256.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number