| CAS Number | 1211518-11-4 |
| Catalog Number | AG01A4JC(AGN-PC-0WO0RI) |
| Chemical Name | 4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine |
| IUPAC Name | 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine |
| InChI | InChI=1S/C4H2ClF3N4/c5-2-10-1(4(6,7)8)11-3(9)12-2/h(H2,9,10,11,12) |
| InChI Key | ITXUBIMPBJDSJU-UHFFFAOYSA-N |
| MDL Number | MFCD20721389 |
| Molecular Formula | C4H2ClF3N4 |
| Molecular Weight | 198.5337 |
| SMILES | NC1=NC(Cl)=NC(C(F)(F)F)=N1 |
| Synonyms | 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine,
1211518-11-4,
SCHEMBL5864479,
ITXUBIMPBJDSJU-UHFFFAOYSA-N,
ZINC90225752,
AKOS026726307,
NE56137,
2-amino-4-chloro-6-trifluoromethyl-1,3,5-triazine,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.533g/mol |
| Monoisotopic Mass | 197.992g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number