| CAS Number | 1016747-55-9 |
| Catalog Number | AG019QUS |
| Chemical Name | 6-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile |
| IUPAC Name | 6-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-6-5-9(7-17)8-18-12/h1-6,8H |
| InChI Key | IFOVOZUCJCVISW-UHFFFAOYSA-N |
| MDL Number | MFCD09931018 |
| Molecular Formula | C13H7F3N2O |
| Molecular Weight | 264.2027 |
| SMILES | FC(C1=C(OC2=NC=C(C#N)C=C2)C=CC=C1)(F)F |
| Synonyms | 6-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile,
1016747-55-9,
EN300-88411,
ZINC19431337,
AKOS000171406,
MCULE-3075959635,
NE19972,
Z1267881764,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.207g/mol |
| Monoisotopic Mass | 264.051g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number