| CAS Number | 70662-93-0 |
| Catalog Number | AG00IMMJ(AGN-PC-0OGX91) |
| Chemical Name | 4-Pyrimidinecarboxylic acid, 5-chloro-1,2-dihydro-2-oxo-, methyl ester |
| IUPAC Name | methyl 5-chloro-2-oxo-1H-pyrimidine-6-carboxylate |
| InChI | InChI=1S/C6H5ClN2O3/c1-12-5(10)4-3(7)2-8-6(11)9-4/h2H,1H3,(H,8,9,11) |
| InChI Key | ATBCOWHAVCMDEN-UHFFFAOYSA-N |
| MDL Number | MFCD24368250 |
| Molecular Formula | C6H5ClN2O3 |
| Molecular Weight | 188.5685 |
| SMILES | COC(=O)c1nc(O)ncc1Cl |
| Synonyms | 70662-93-0,
Methyl 5-chloro-2-oxo-2,3-dihydropyrimidine-4-carboxylate,
methyl 5-chloro-2-hydroxypyrimidine-4-carboxylate,
ZINC26441075,
AKOS006326497,
AK322077,
DS-11976,
CS-0045585,
methyl 5-chloro-2-oxo-1,2-dihydropyrimidine-4-carboxylate,
4-Pyrimidinecarboxylic acid, 5-chloro-1,2-dihydro-2-oxo-, methyl ester,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.567g/mol |
| Monoisotopic Mass | 187.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number