| CAS Number | 1803597-56-9 |
| Catalog Number | AG01ALZQ |
| Chemical Name | 5-chloro-6-(cyclohexyloxy)pyridine-3-carbonitrile |
| IUPAC Name | 5-chloro-6-cyclohexyloxypyridine-3-carbonitrile |
| InChI | InChI=1S/C12H13ClN2O/c13-11-6-9(7-14)8-15-12(11)16-10-4-2-1-3-5-10/h6,8,10H,1-5H2 |
| InChI Key | NNOAZEFQNUHLBV-UHFFFAOYSA-N |
| MDL Number | MFCD28968313 |
| Molecular Formula | C12H13ClN2O |
| Molecular Weight | 236.6974 |
| SMILES | ClC1=C(OC2CCCCC2)N=CC(C#N)=C1 |
| Synonyms | 5-chloro-6-(cyclohexyloxy)pyridine-3-carbonitrile,
1803597-56-9,
ZINC238854415,
EN300-222493,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.699g/mol |
| Monoisotopic Mass | 236.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number