| CAS Number | 1397008-33-1 |
| Catalog Number | AG01ELDS |
| Chemical Name | Ethyl 2-(6-chloropyridin-3-yl)-2,2-difluoroacetate |
| IUPAC Name | ethyl 2-(6-chloropyridin-3-yl)-2,2-difluoroacetate |
| InChI | InChI=1S/C9H8ClF2NO2/c1-2-15-8(14)9(11,12)6-3-4-7(10)13-5-6/h3-5H,2H2,1H3 |
| InChI Key | MOODARGYEGTZII-UHFFFAOYSA-N |
| MDL Number | MFCD31559735 |
| Molecular Formula | C9H8ClF2NO2 |
| Molecular Weight | 235.6151 |
| SMILES | CCOC(C(C1=CN=C(Cl)C=C1)(F)F)=O |
| Synonyms | ethyl 2-(6-chloropyridin-3-yl)-2,2-difluoroacetate,
SCHEMBL17410229,
6-Chloro-alpha,alpha-difluoropyridine-3-acetic acid ethyl ester,
1397008-33-1,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.615g/mol |
| Monoisotopic Mass | 235.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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