| CAS Number | 1247149-72-9 |
| Catalog Number | AG01A6O3 |
| Chemical Name | Ethyl 3-(3,4-difluorophenyl)-3-hydroxypropanoate |
| IUPAC Name | ethyl 3-(3,4-difluorophenyl)-3-hydroxypropanoate |
| InChI | InChI=1S/C11H12F2O3/c1-2-16-11(15)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,14H,2,6H2,1H3 |
| InChI Key | ZOGDGDQVUYOSQW-UHFFFAOYSA-N |
| MDL Number | MFCD16756865 |
| Molecular Formula | C11H12F2O3 |
| Molecular Weight | 230.2080 |
| SMILES | c1(cc(c(cc1)F)F)C(O)CC(=O)OCC |
| Synonyms | ethyl 3-(3,4-difluorophenyl)-3-hydroxypropanoate,
1247149-72-9,
SCHEMBL8771004,
AKOS011683343,
MCULE-7927407976,
NE30765,
Z1704693852,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.211g/mol |
| Monoisotopic Mass | 230.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number