| CAS Number | 1275401-16-5 |
| Catalog Number | AG01ABJZ |
| Chemical Name | 4-chloro-6-(4-methoxyphenoxy)-2-methylpyrimidine |
| IUPAC Name | 4-chloro-6-(4-methoxyphenoxy)-2-methylpyrimidine |
| InChI | InChI=1S/C12H11ClN2O2/c1-8-14-11(13)7-12(15-8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3 |
| InChI Key | HAGLTXVRALJFDA-UHFFFAOYSA-N |
| MDL Number | MFCD17349044 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | COC1=CC=C(OC2=NC(C)=NC(Cl)=C2)C=C1 |
| Synonyms | 4-chloro-6-(4-methoxyphenoxy)-2-methylpyrimidine,
1275401-16-5,
ZINC52835149,
AKOS006091667,
NE55470,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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