| CAS Number | 55805-23-7 |
| Catalog Number | AG01DLN9(AGN-PC-0WCD2M) |
| Chemical Name | Ethyl 4-(1,1-difluoroethyl)benzoate |
| IUPAC Name | ethyl 4-(1,1-difluoroethyl)benzoate |
| InChI | InChI=1S/C11H12F2O2/c1-3-15-10(14)8-4-6-9(7-5-8)11(2,12)13/h4-7H,3H2,1-2H3 |
| InChI Key | XVTHJQHKAZPIDB-UHFFFAOYSA-N |
| MDL Number | MFCD22683249 |
| Molecular Formula | C11H12F2O2 |
| Molecular Weight | 214.2086 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(C)(F)F |
| Synonyms | ethyl 4-(1,1-difluoroethyl)benzoate,
55805-23-7,
para-alpha, alpha-difluoroethyl ethyl benzoate,
SCHEMBL1742368,
XVTHJQHKAZPIDB-UHFFFAOYSA-N,
BBL100375,
MFCD22683249,
STL554169,
ZINC95725623,
AKOS016015992,
AS-48751,
Z-1450,
|
| Complexity | 221 |
| 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 | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number