| CAS Number | 339016-79-4 |
| Catalog Number | AG00IRVG(AGN-PC-0WAVYR) |
| Chemical Name | 4-methoxy-2-(4-methylphenoxy)nicotinonitrile |
| IUPAC Name | 4-methoxy-2-(4-methylphenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C14H12N2O2/c1-10-3-5-11(6-4-10)18-14-12(9-15)13(17-2)7-8-16-14/h3-8H,1-2H3 |
| InChI Key | FKFQFOQJCLFJHB-UHFFFAOYSA-N |
| MDL Number | MFCD00975472 |
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.2573 |
| SMILES | O(C1(=NC=CC(=C1C#N)OC))C2(=CC=C(C)C=C2) |
| Synonyms | 4-methoxy-2-(4-methylphenoxy)nicotinonitrile,
4-methoxy-2-(4-methylphenoxy)pyridine-3-carbonitrile,
339016-79-4,
AC1LS9AE,
MLS000326290,
CHEMBL1320192,
KS-00001ZHK,
HMS2480F09,
ZINC1398112,
AKOS005101109,
MCULE-8281745572,
SMR000178875,
7M-048,
ZINC01398112,
CID1484359,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.262g/mol |
| Monoisotopic Mass | 240.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number