| CAS Number | 1554322-12-1 |
| Catalog Number | AG01C4S1 |
| Chemical Name | methyl 6-chloro-5-methoxypyrimidine-4-carboxylate |
| IUPAC Name | methyl 6-chloro-5-methoxypyrimidine-4-carboxylate |
| InChI | InChI=1S/C7H7ClN2O3/c1-12-5-4(7(11)13-2)9-3-10-6(5)8/h3H,1-2H3 |
| InChI Key | HFKKUHBIGKCALE-UHFFFAOYSA-N |
| MDL Number | MFCD29046473 |
| Molecular Formula | C7H7ClN2O3 |
| Molecular Weight | 202.5951 |
| SMILES | COC(C1=C(OC)C(Cl)=NC=N1)=O |
| Synonyms | methyl 6-chloro-5-methoxypyrimidine-4-carboxylate,
1554322-12-1,
AKOS026715950,
ZINC306891298,
F2147-2694,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.594g/mol |
| Monoisotopic Mass | 202.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number