| CAS Number | 944901-38-6 |
| Catalog Number | AG00II92(AGN-PC-0WCYTE) |
| Chemical Name | 4-(Chloromethyl)-2-methoxypyrimidine |
| IUPAC Name | 4-(chloromethyl)-2-methoxypyrimidine |
| InChI | InChI=1S/C6H7ClN2O/c1-10-6-8-3-2-5(4-7)9-6/h2-3H,4H2,1H3 |
| InChI Key | PMYTXFVWGGDUKW-UHFFFAOYSA-N |
| MDL Number | MFCD10697078 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | COC1=NC(CCl)=CC=N1 |
| Synonyms | 4-(chloromethyl)-2-methoxypyrimidine,
944901-38-6,
CTK7B2166,
4-Chloromethyl-2-methoxypyrimidine,
MFCD10697078,
ZINC71864071,
AKOS006304122,
AB58943,
AS-48345,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.585g/mol |
| Monoisotopic Mass | 158.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number