| CAS Number | 1404364-32-4 |
| Catalog Number | AG01EL50 |
| Chemical Name | methyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
| IUPAC Name | methyl 2-chloro-5-fluoropyrimidine-4-carboxylate |
| InChI | InChI=1S/C6H4ClFN2O2/c1-12-5(11)4-3(8)2-9-6(7)10-4/h2H,1H3 |
| InChI Key | JHEBNUBUTDIAFI-UHFFFAOYSA-N |
| MDL Number | MFCD21332752 |
| Molecular Formula | C6H4ClFN2O2 |
| Molecular Weight | 190.5596 |
| SMILES | COC(C1=C(F)C=NC(Cl)=N1)=O |
| Synonyms | 1404364-32-4,
SCHEMBL16094863,
Methyl 2-Chloro-5-fluoropyrimidine-4-carboxylate,
methyl 2-chloro-5-fluoro-pyrimidine-4-carboxylate,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.558g/mol |
| Monoisotopic Mass | 189.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number