| CAS Number | 153463-57-1 |
| Catalog Number | AG00ASJ6 |
| Chemical Name | 3-chloro-5-ethoxypyridine-4-carbonitrile |
| IUPAC Name | 3-chloro-5-ethoxypyridine-4-carbonitrile |
| InChI | InChI=1S/C8H7ClN2O/c1-2-12-8-5-11-4-7(9)6(8)3-10/h4-5H,2H2,1H3 |
| InChI Key | KUYZWPHLKDFTRX-UHFFFAOYSA-N |
| MDL Number | MFCD22380415 |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.6070 |
| SMILES | ClC1=C(C#N)C(=CN=C1)OCC |
| Synonyms | 153463-57-1,
3-chloro-5-ethoxypyridine-4-carbonitrile,
3-Chloro-5-ethoxyisonicotinonitrile,
MFCD22380415,
ZINC36448292,
AS-40962,
4-Pyridinecarbonitrile, 3-chloro-5-ethoxy-,
CID11805396,
3-chloro-5-ethoxy-pyridine-4-carbonitrile,
3-chloro-5-ethoxypyridine-4-carbonitrile, 95% - 1G 1g,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.607g/mol |
| Monoisotopic Mass | 182.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number