| CAS Number | 1565050-85-2 |
| Catalog Number | AG01C2T1 |
| Chemical Name | ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate |
| IUPAC Name | ethyl 2-(3-chloropyridin-2-yl)-2-cyanopropanoate |
| InChI | InChI=1S/C11H11ClN2O2/c1-3-16-10(15)11(2,7-13)9-8(12)5-4-6-14-9/h4-6H,3H2,1-2H3 |
| InChI Key | OKZSKNNTHDOGPE-UHFFFAOYSA-N |
| MDL Number | MFCD26912800 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | CCOC(C(C1=C(Cl)C=CC=N1)(C#N)C)=O |
| Synonyms | ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate,
1565050-85-2,
AKOS030757598,
EN300-252926,
Z2301499735,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number