| CAS Number | 57054-93-0 |
| Catalog Number | AG01C54D(AGN-PC-00PZB3) |
| Chemical Name | 5-Bromo-4-chloro-2-methoxypyrimidine |
| IUPAC Name | 5-bromo-4-chloro-2-methoxypyrimidine |
| InChI | InChI=1S/C5H4BrClN2O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3 |
| InChI Key | CUJKVRNKYMBUGX-UHFFFAOYSA-N |
| MDL Number | MFCD12400758 |
| Molecular Formula | C5H4BrClN2O |
| Molecular Weight | 223.4551 |
| SMILES | COC1=NC(Cl)=C(Br)C=N1 |
| Synonyms | 5-Bromo-4-chloro-2-methoxypyrimidine,
57054-93-0,
CTK1F3090,
DTXSID00575884,
ZINC71864185,
Pyrimidine, 5-bromo-4-chloro-2-methoxy-,
AJ-118896,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.454g/mol |
| Monoisotopic Mass | 221.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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