| CAS Number | 1692317-98-8 |
| Catalog Number | AG01DYTH |
| Chemical Name | 4-chloro-6-methoxy-2-(trifluoromethyl)pyrimidine |
| IUPAC Name | 4-chloro-6-methoxy-2-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C6H4ClF3N2O/c1-13-4-2-3(7)11-5(12-4)6(8,9)10/h2H,1H3 |
| InChI Key | LBUQLUWVXNDBGF-UHFFFAOYSA-N |
| MDL Number | MFCD22397999 |
| Molecular Formula | C6H4ClF3N2O |
| Molecular Weight | 212.5570 |
| SMILES | COC1=NC(C(F)(F)F)=NC(Cl)=C1 |
| Synonyms | 4-chloro-6-methoxy-2-(trifluoromethyl)pyrimidine,
1692317-98-8,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.556g/mol |
| Monoisotopic Mass | 211.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number