| CAS Number | 1221724-71-5 |
| Catalog Number | AG019XUJ(AGN-PC-0WO3DA) |
| Chemical Name | 3-chloro-6-(propan-2-yloxy)pyridine-2-carbonitrile |
| IUPAC Name | 3-chloro-6-propan-2-yloxypyridine-2-carbonitrile |
| InChI | InChI=1S/C9H9ClN2O/c1-6(2)13-9-4-3-7(10)8(5-11)12-9/h3-4,6H,1-2H3 |
| InChI Key | LYVOEOXDHVQNPV-UHFFFAOYSA-N |
| MDL Number | MFCD13368212 |
| Molecular Formula | C9H9ClN2O |
| Molecular Weight | 196.6336 |
| SMILES | CC(OC1=NC(C#N)=C(Cl)C=C1)C |
| Synonyms | 3-chloro-6-(propan-2-yloxy)pyridine-2-carbonitrile,
1221724-71-5,
EN300-56076,
AC1Q1QQP,
CTK7C9178,
ZINC39947454,
AKOS008148378,
FCH1120447,
MCULE-5207407691,
NE29848,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.634g/mol |
| Monoisotopic Mass | 196.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number