| CAS Number | 1000932-47-7 |
| Catalog Number | AG019LEL |
| Chemical Name | 5-(chloromethyl)-7-ethoxy-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 5-(chloromethyl)-7-ethoxy-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C9H8ClF3N4O/c1-2-18-6-3-5(4-10)14-8-15-7(9(11,12)13)16-17(6)8/h3H,2,4H2,1H3 |
| InChI Key | UWWZKZDMXKQKPF-UHFFFAOYSA-N |
| MDL Number | MFCD09863447 |
| Molecular Formula | C9H8ClF3N4O |
| Molecular Weight | 280.6342 |
| SMILES | CCOC1N2C(=NC(C(F)(F)F)=N2)N=C(CCl)C=1 |
| Synonyms | 5-(chloromethyl)-7-ethoxy-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine,
1000932-47-7,
5-(chloromethyl)-7-ethoxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine,
CTK6G1210,
AC1Q3636,
ZINC12759571,
AKOS030689570,
MCULE-3797255777,
NE14562,
EN300-30981,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.635g/mol |
| Monoisotopic Mass | 280.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number