| CAS Number | 1436504-94-7 |
| Catalog Number | AG00AT8X(AGN-PC-0WG3AB) |
| Chemical Name | Ethyl 3-chloro-6-cyanopicolinate |
| IUPAC Name | ethyl 3-chloro-6-cyanopyridine-2-carboxylate |
| InChI | InChI=1S/C9H7ClN2O2/c1-2-14-9(13)8-7(10)4-3-6(5-11)12-8/h3-4H,2H2,1H3 |
| InChI Key | MXRGLEBNKYIPJP-UHFFFAOYSA-N |
| MDL Number | MFCD28749724 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | ClC=1C(=NC(=CC1)C#N)C(=O)OCC |
| Synonyms | ethyl 3-chloro-6-cyanopicolinate,
1436504-94-7,
Ethyl 3-Chloro-6-cyanopyridine-2-carboxylate,
SCHEMBL14966226,
MXRGLEBNKYIPJP-UHFFFAOYSA-N,
MFCD28749724,
CS-12402,
SY056948,
CS-0059866,
MFCD28749724 (95%),
|
| 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 | 2.1 |
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Certificate of Analysis
Lot Number