| CAS Number | 1248719-87-0 |
| Catalog Number | AG01A5FC(AGN-PC-0WOQAD) |
| Chemical Name | Ethyl 2-(3,4-difluorophenyl)-2-hydroxyacetate |
| IUPAC Name | ethyl 2-(3,4-difluorophenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C10H10F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3 |
| InChI Key | AGBLMWRLLTXJSX-UHFFFAOYSA-N |
| MDL Number | MFCD16661858 |
| Molecular Formula | C10H10F2O3 |
| Molecular Weight | 216.1814 |
| SMILES | CCOC(C(C1=CC(F)=C(F)C=C1)O)=O |
| Synonyms | ethyl 2-(3,4-difluorophenyl)-2-hydroxyacetate,
1248719-87-0,
ethyl (3,4-difluorophenyl)(hydroxy)acetate,
AKOS009116291,
MCULE-2257294194,
NE37634,
BS-12401,
Z235448130,
(3,4-Difluoro-phenyl)-hydroxy-acetic acid ethyl ester,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.184g/mol |
| Monoisotopic Mass | 216.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number