| CAS Number | 220731-02-2 |
| Catalog Number | AG00CGC3(AGN-PC-0QYMY8) |
| Chemical Name | Ethyl 3-(2-chloropyridin-3-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(2-chloropyridin-3-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H10ClNO3/c1-2-15-9(14)6-8(13)7-4-3-5-12-10(7)11/h3-5H,2,6H2,1H3 |
| InChI Key | MOOVARASKMIIJY-UHFFFAOYSA-N |
| MDL Number | MFCD16810296 |
| Molecular Formula | C10H10ClNO3 |
| Molecular Weight | 227.6443 |
| SMILES | CCOC(CC(C1=C(Cl)N=CC=C1)=O)=O |
| Synonyms | Ethyl 3-(2-chloropyridin-3-yl)-3-oxopropanoate,
220731-02-2,
Ethyl 2-chloronicotinoylacetate,
SCHEMBL1566595,
KS-00001KKB,
MFCD16810296,
ZINC67799512,
CCOC(=O)CC(=O)C1=C(Cl)N=CC=C1,
FT-0737472,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.644g/mol |
| Monoisotopic Mass | 227.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number