| CAS Number | 1549816-61-6 |
| Catalog Number | AG01C14I |
| Chemical Name | 5-(4-methoxyphenoxy)pyridine-2-carbonitrile |
| IUPAC Name | 5-(4-methoxyphenoxy)pyridine-2-carbonitrile |
| InChI | InChI=1S/C13H10N2O2/c1-16-11-4-6-12(7-5-11)17-13-3-2-10(8-14)15-9-13/h2-7,9H,1H3 |
| InChI Key | BOMDOHJJXRMXNK-UHFFFAOYSA-N |
| MDL Number | MFCD25706014 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | COC1=CC=C(OC2=CN=C(C#N)C=C2)C=C1 |
| Synonyms | 5-(4-methoxyphenoxy)pyridine-2-carbonitrile,
1549816-61-6,
ZINC129285316,
SEL12315768,
EN300-245895,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number