| CAS Number | 6693-07-8 |
| Catalog Number | AG019ZWL(AGN-PC-0WON1C) |
| Chemical Name | 4,6-dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine |
| IUPAC Name | 4,6-dichloro-5-fluoro-2-methylsulfanylpyrimidine |
| InChI | InChI=1S/C5H3Cl2FN2S/c1-11-5-9-3(6)2(8)4(7)10-5/h1H3 |
| InChI Key | WFTWCTATXRCZAU-UHFFFAOYSA-N |
| MDL Number | MFCD16987790 |
| Molecular Formula | C5H3Cl2FN2S |
| Molecular Weight | 213.0601 |
| SMILES | CSC1=NC(=C(C(=N1)Cl)F)Cl |
| Synonyms | 4,6-Dichloro-5-fluoro-2-(methylthio)pyrimidine,
6693-07-8,
4,6-dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine,
SCHEMBL1188874,
WFTWCTATXRCZAU-UHFFFAOYSA-N,
MFCD16987790,
ZINC115445739,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.051g/mol |
| Monoisotopic Mass | 211.938g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number