| CAS Number | 1247199-34-3 |
| Catalog Number | AG01A6ON |
| Chemical Name | 4-(benzyloxy)-2-chloro-6-methylpyrimidine |
| IUPAC Name | 2-chloro-4-methyl-6-phenylmethoxypyrimidine |
| InChI | InChI=1S/C12H11ClN2O/c1-9-7-11(15-12(13)14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3 |
| InChI Key | NSRUAVFRZLOKLL-UHFFFAOYSA-N |
| MDL Number | MFCD21692921 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | CC1=NC(Cl)=NC(OCC2=CC=CC=C2)=C1 |
| Synonyms | 4-(benzyloxy)-2-chloro-6-methylpyrimidine,
1247199-34-3,
ZINC52813847,
AKOS011765230,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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