| CAS Number | 338956-34-6 |
| Catalog Number | AG00IUCT(AGN-PC-0K5SS0) |
| Chemical Name | 4-methoxy-2-[3-(trifluoromethyl)phenoxy]nicotinonitrile |
| IUPAC Name | 4-methoxy-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile |
| InChI | InChI=1S/C14H9F3N2O2/c1-20-12-5-6-19-13(11(12)8-18)21-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3 |
| InChI Key | CFWLONICMGQEOY-UHFFFAOYSA-N |
| MDL Number | MFCD00975461 |
| Molecular Formula | C14H9F3N2O2 |
| Molecular Weight | 294.2287 |
| SMILES | FC(F)(F)C2(=CC(OC1(=NC=CC(=C1C#N)OC))=CC=C2) |
| Synonyms | 338956-34-6,
4-methoxy-2-[3-(trifluoromethyl)phenoxy]nicotinonitrile,
4-methoxy-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile,
5K-002,
AC1LRXW9,
Bionet2_000962,
KS-00001XKA,
DTXSID40363161,
HMS1366L16,
ZINC1391994,
AKOS005095043,
MCULE-1612205771,
ZINC01391994,
CID1479245,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.233g/mol |
| Monoisotopic Mass | 294.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number