| CAS Number | 1803596-66-8 |
| Catalog Number | AG01B9PQ |
| Chemical Name | 2-Chloro-5-(trifluoromethoxy)pyrazine |
| IUPAC Name | 2-chloro-5-(trifluoromethoxy)pyrazine |
| InChI | InChI=1S/C5H2ClF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H |
| InChI Key | ICXFWEHIUZEZEK-UHFFFAOYSA-N |
| MDL Number | MFCD28383952 |
| Molecular Formula | C5H2ClF3N2O |
| Molecular Weight | 198.5304 |
| SMILES | FC(OC1=NC=C(Cl)N=C1)(F)F |
| Synonyms | 2-chloro-5-(trifluoromethoxy)pyrazine,
1803596-66-8,
ZINC238853046,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.529g/mol |
| Monoisotopic Mass | 197.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number