| CAS Number | 70260-26-3 |
| Catalog Number | AG01FD9F(AGN-PC-3H49OP) |
| Chemical Name | Ethyl 3,3-difluoro-3-phenylpropanoate |
| IUPAC Name | ethyl 3,3-difluoro-3-phenylpropanoate |
| InChI | InChI=1S/C11H12F2O2/c1-2-15-10(14)8-11(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChI Key | XKQCTMJHHLZIRA-UHFFFAOYSA-N |
| MDL Number | MFCD31561620 |
| Molecular Formula | C11H12F2O2 |
| Molecular Weight | 214.2086 |
| SMILES | FC(CC(=O)OCC)(C1=CC=CC=C1)F |
| Synonyms | ethyl 3,3-difluoro-3-phenylpropanoate,
70260-26-3,
3-Phenyl-3,3-difluoropropionic acid ethyl ester,
CID11042100,
Ethyl 3,3-difluoro-3-phenyl-propanoate,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.212g/mol |
| Monoisotopic Mass | 214.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number