| CAS Number | 339016-66-9 |
| Catalog Number | AG00IQJO(AGN-PC-0WAVYN) |
| Chemical Name | 4-methoxy-2-(4-methoxyphenoxy)nicotinonitrile |
| IUPAC Name | 4-methoxy-2-(4-methoxyphenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C14H12N2O3/c1-17-10-3-5-11(6-4-10)19-14-12(9-15)13(18-2)7-8-16-14/h3-8H,1-2H3 |
| InChI Key | NIPLMEDDKHWEJY-UHFFFAOYSA-N |
| MDL Number | MFCD00975464 |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.2567 |
| SMILES | O(C1(=NC=CC(=C1C#N)OC))C2(=CC=C(OC)C=C2) |
| Synonyms | 4-methoxy-2-(4-methoxyphenoxy)nicotinonitrile,
4-methoxy-2-(4-methoxyphenoxy)pyridine-3-carbonitrile,
339016-66-9,
SMR000178871,
MLS000326349,
AC1LS995,
CHEMBL1599332,
KS-00001ZHE,
HMS2473G07,
ZINC1398093,
AKOS005100891,
MCULE-1521062571,
7M-027,
CID1484342,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.261g/mol |
| Monoisotopic Mass | 256.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number