| CAS Number | 1153408-91-3 |
| Catalog Number | AG019VY2 |
| Chemical Name | 4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine |
| IUPAC Name | 4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine |
| InChI | InChI=1S/C11H8ClN3O2/c1-7-6-10(12)14-11(13-7)8-2-4-9(5-3-8)15(16)17/h2-6H,1H3 |
| InChI Key | DJFUKKYCJQOIFC-UHFFFAOYSA-N |
| MDL Number | MFCD11218775 |
| Molecular Formula | C11H8ClN3O2 |
| Molecular Weight | 249.6531 |
| SMILES | CC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=NC(Cl)=C1 |
| Synonyms | 4-chloro-6-methyl-2-(4-nitrophenyl)pyrimidine,
1153408-91-3,
AC1Q2OSW,
CTK6B5436,
ZINC36379566,
AKOS009579658,
MCULE-4845937565,
NE15143,
EN300-49825,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.654g/mol |
| Monoisotopic Mass | 249.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number