| CAS Number | 1296172-36-5 |
| Catalog Number | AG00IWJB(AGN-PC-0WAZ88) |
| Chemical Name | Ethyl 3,5-dichloro-4-cyanopicolinate |
| IUPAC Name | ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate |
| InChI | InChI=1S/C9H6Cl2N2O2/c1-2-15-9(14)8-7(11)5(3-12)6(10)4-13-8/h4H,2H2,1H3 |
| InChI Key | QCDKAYLLFNQOQY-UHFFFAOYSA-N |
| MDL Number | MFCD18904316 |
| Molecular Formula | C9H6Cl2N2O2 |
| Molecular Weight | 245.0621 |
| SMILES | ClC1(=C(C#N)C(Cl)=CN=C1C(=O)OCC) |
| Synonyms | Ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate,
1296172-36-5,
Ethyl 3,5-dichloro-4-cyanopicolinate,
CTK6F7557,
ethyldichlorocyanopyridinecarboxylate,
KS-00001Q1B,
ZX-RL003113,
MFCD18904316,
ZINC66323411,
AKOS015848880,
DF-0712,
MCULE-2451083666,
RP13977,
OR303890,
TR-072486,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.059g/mol |
| Monoisotopic Mass | 243.981g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number