| CAS Number | 1431654-74-8 |
| Catalog Number | AG01B5DE |
| Chemical Name | 6-(2,2,2-trifluoroethoxy)pyrazin-2-amine |
| IUPAC Name | 6-(2,2,2-trifluoroethoxy)pyrazin-2-amine |
| InChI | InChI=1S/C6H6F3N3O/c7-6(8,9)3-13-5-2-11-1-4(10)12-5/h1-2H,3H2,(H2,10,12) |
| InChI Key | UDXNBGXOAPVQTH-UHFFFAOYSA-N |
| MDL Number | MFCD23955177 |
| Molecular Formula | C6H6F3N3O |
| Molecular Weight | 193.1265 |
| SMILES | NC1=NC(OCC(F)(F)F)=CN=C1 |
| Synonyms | 6-(2,2,2-trifluoroethoxy)pyrazin-2-amine,
1431654-74-8,
2-Pyrazinamine, 6-(2,2,2-trifluoroethoxy)-,
SCHEMBL14897116,
ZINC87725179,
AKOS019214291,
Z2517219400,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.129g/mol |
| Monoisotopic Mass | 193.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number