| CAS Number | 811450-17-6 |
| Catalog Number | AG019T2S(AGN-PC-0FYDGD) |
| Chemical Name | Methyl 4-chloropyrimidine-2-carboxylate |
| IUPAC Name | methyl 4-chloropyrimidine-2-carboxylate |
| InChI | InChI=1S/C6H5ClN2O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3 |
| InChI Key | DIHSXFKKXMHFBI-UHFFFAOYSA-N |
| MDL Number | MFCD16987921 |
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.5691 |
| SMILES | ClC1=NC(=NC=C1)C(=O)OC |
| Synonyms | methyl 4-chloropyrimidine-2-carboxylate,
811450-17-6,
ZINC72192296,
AKOS014320276,
2-Pyrimidinecarboxylic acid, 4-chloro-, methyl ester,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.568g/mol |
| Monoisotopic Mass | 172.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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