| CAS Number | 1616500-66-3 |
| Catalog Number | AG00ISA8(AGN-PC-0WAZES) |
| Chemical Name | Ethyl 3-chloro-4-cyanopicolinate |
| IUPAC Name | ethyl 3-chloro-4-cyanopyridine-2-carboxylate |
| InChI | InChI=1S/C9H7ClN2O2/c1-2-14-9(13)8-7(10)6(5-11)3-4-12-8/h3-4H,2H2,1H3 |
| InChI Key | NQROQWMDTBVLPB-UHFFFAOYSA-N |
| MDL Number | MFCD28098236 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | O=C(C1=NC=CC(C#N)=C1Cl)OCC |
| Synonyms | Ethyl 3-chloro-4-cyanopicolinate,
1616500-66-3,
ethyl 3-chloro-4-cyanopyridine-2-carboxylate,
KS-000024XQ,
AKOS024255705,
ZINC169620367,
EK-0705,
AK520376,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number