| CAS Number | 1153297-96-1 |
| Catalog Number | AG019W7S |
| Chemical Name | 4-chloro-6-ethyl-2-(4-nitrophenyl)pyrimidine |
| IUPAC Name | 4-chloro-6-ethyl-2-(4-nitrophenyl)pyrimidine |
| InChI | InChI=1S/C12H10ClN3O2/c1-2-9-7-11(13)15-12(14-9)8-3-5-10(6-4-8)16(17)18/h3-7H,2H2,1H3 |
| InChI Key | RSXIVHRRMXHXGD-UHFFFAOYSA-N |
| MDL Number | MFCD12076889 |
| Molecular Formula | C12H10ClN3O2 |
| Molecular Weight | 263.6797 |
| SMILES | CCC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=NC(Cl)=C1 |
| Synonyms | 4-chloro-6-ethyl-2-(4-nitrophenyl)pyrimidine,
1153297-96-1,
AC1Q2U45,
CTK6D1029,
ZINC36379696,
AKOS009577415,
MCULE-6529523689,
NE27320,
EN300-50971,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.681g/mol |
| Monoisotopic Mass | 263.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number