| CAS Number | 1779983-09-3 |
| Catalog Number | AG00HZRH(AGN-PC-0WP1RY) |
| Chemical Name | 2-Methanesulfonyl-6-(trifluoromethyl)pyrimidin-4-ol |
| IUPAC Name | 2-methylsulfonyl-4-(trifluoromethyl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C6H5F3N2O3S/c1-15(13,14)5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12) |
| InChI Key | VTYWGYFPJDMHKQ-UHFFFAOYSA-N |
| MDL Number | MFCD30527647 |
| Molecular Formula | C6H5F3N2O3S |
| Molecular Weight | 242.1757 |
| SMILES | Oc1cc(nc(n1)S(=O)(=O)C)C(F)(F)F |
| Synonyms | 2-Methanesulfonyl-6-(trifluoromethyl)pyrimidin-4-ol,
1779983-09-3,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.172g/mol |
| Monoisotopic Mass | 241.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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