| CAS Number | 119610-21-8 |
| Catalog Number | AG01ELIO(AGN-PC-0NZWUU) |
| Chemical Name | 4-Chloro-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine |
| IUPAC Name | 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3 |
| InChI Key | QOGLJWXUTLRNMB-UHFFFAOYSA-N |
| MDL Number | MFCD31616619 |
| Molecular Formula | C6H4ClF3N2O2S |
| Molecular Weight | 260.6214 |
| SMILES | ClC1=NC(=NC(=C1)C(F)(F)F)S(=O)(=O)C |
| Synonyms | SCHEMBL15662202,
QOGLJWXUTLRNMB-UHFFFAOYSA-N,
ZINC143652608,
4-chloro-2-methanesulfonyl-6-(trifluoromethyl)pyrimidine,
4-chloro-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine,
119610-21-8,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.615g/mol |
| Monoisotopic Mass | 259.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number