| CAS Number | 1529210-56-7 |
| Catalog Number | AG01C4EE |
| Chemical Name | methyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate |
| IUPAC Name | methyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate |
| InChI | InChI=1S/C9H9ClN2O2/c1-14-9(13)8-11-6(5-2-3-5)4-7(10)12-8/h4-5H,2-3H2,1H3 |
| InChI Key | GQRDUGYJMFDMAW-UHFFFAOYSA-N |
| MDL Number | MFCD21741836 |
| Molecular Formula | C9H9ClN2O2 |
| Molecular Weight | 212.6330 |
| SMILES | ClC1=NC(=NC(=C1)C1CC1)C(=O)OC |
| Synonyms | methyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate,
1529210-56-7,
ZINC85446748,
AKOS015634901,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.633g/mol |
| Monoisotopic Mass | 212.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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