| CAS Number | 1499589-54-6 |
| Catalog Number | AG01BD69 |
| Chemical Name | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile |
| IUPAC Name | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C9H4F6N2O/c10-8(11,12)4-18-7-5(3-16)1-2-6(17-7)9(13,14)15/h1-2H,4H2 |
| InChI Key | VEBYICSAJLFNRI-UHFFFAOYSA-N |
| MDL Number | MFCD23356219 |
| Molecular Formula | C9H4F6N2O |
| Molecular Weight | 270.1313 |
| SMILES | FC(COC1=C(C#N)C=CC(C(F)(F)F)=N1)(F)F |
| Synonyms | 2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile,
1499589-54-6,
ZINC94335564,
AKOS018428355,
MCULE-3201180501,
NE42798,
ABA-6746617,
EN300-175797,
Z1860991735,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.134g/mol |
| Monoisotopic Mass | 270.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number