| CAS Number | 1247619-04-0 |
| Catalog Number | AG01ABUI |
| Chemical Name | Ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate |
| IUPAC Name | ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C10H10ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3 |
| InChI Key | ZNSRYRUHAPLUPG-UHFFFAOYSA-N |
| MDL Number | MFCD16694002 |
| Molecular Formula | C10H10ClFO3 |
| Molecular Weight | 232.6360 |
| SMILES | CCOC(C(C1=CC(F)=C(Cl)C=C1)O)=O |
| Synonyms | ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate,
1247619-04-0,
AKOS011497107,
MCULE-1405087918,
NE19809,
Z1683068161,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.635g/mol |
| Monoisotopic Mass | 232.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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