| CAS Number | 168558-19-8 |
| Catalog Number | AG01ABQQ(AGN-PC-0N59DJ) |
| Chemical Name | Ethyl 2,2-Difluoro-3-Hydroxy-3-Methylbutanoate |
| IUPAC Name | ethyl 2,2-difluoro-3-hydroxy-3-methylbutanoate |
| InChI | InChI=1S/C7H12F2O3/c1-4-12-5(10)7(8,9)6(2,3)11/h11H,4H2,1-3H3 |
| InChI Key | BPZFCYVRLOAIGL-UHFFFAOYSA-N |
| MDL Number | MFCD16749392 |
| Molecular Formula | C7H12F2O3 |
| Molecular Weight | 182.1652 |
| SMILES | CC(C)(O)C(F)(F)C(OCC)=O |
| Synonyms | ethyl 2,2-difluoro-3-hydroxy-3-methylbutanoate,
168558-19-8,
ZINC38950054,
AKOS011684249,
NE51821,
CID10487666,
Ethyl 2,2-difluoro-3-hydroxy-3-methyl-butanoate,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.167g/mol |
| Monoisotopic Mass | 182.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number