| CAS Number | 1248229-24-4 |
| Catalog Number | AG019T38 |
| Chemical Name | 4-chloro-6-ethoxy-2-methylpyrimidine |
| IUPAC Name | 4-chloro-6-ethoxy-2-methylpyrimidine |
| InChI | InChI=1S/C7H9ClN2O/c1-3-11-7-4-6(8)9-5(2)10-7/h4H,3H2,1-2H3 |
| InChI Key | DLCZMZFAKWMXCA-UHFFFAOYSA-N |
| MDL Number | MFCD16768934 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | ClC1=NC(=NC(=C1)OCC)C |
| Synonyms | 4-chloro-6-ethoxy-2-methylpyrimidine,
1248229-24-4,
ZINC52834832,
AKOS011772192,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 2 |
| 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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