| CAS Number | 698-33-9 |
| Catalog Number | AG018GXA(AGN-PC-03L5RB) |
| Chemical Name | 4-Chloro-5-methoxy-2-methylpyrimidine |
| IUPAC Name | 4-chloro-5-methoxy-2-methylpyrimidine |
| InChI | InChI=1S/C6H7ClN2O/c1-4-8-3-5(10-2)6(7)9-4/h3H,1-2H3 |
| InChI Key | SEPGLLQTLDBFAY-UHFFFAOYSA-N |
| MDL Number | MFCD00223701 |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.5856 |
| SMILES | CC1=NC=C(OC)C(Cl)=N1 |
| Synonyms | 4-chloro-5-methoxy-2-methylpyrimidine,
698-33-9,
SCHEMBL351851,
SEPGLLQTLDBFAY-UHFFFAOYSA-N,
ZINC392461,
MFCD00223701,
AKOS023557324,
MCULE-4206135692,
FT-0722003,
L-4628,
F2147-1087,
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| Complexity | 112 |
| 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 | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number