| CAS Number | 1341681-83-1 |
| Catalog Number | AG019S1F |
| Chemical Name | 2-tert-butyl-4,6-dichloro-5-ethylpyrimidine |
| IUPAC Name | 2-tert-butyl-4,6-dichloro-5-ethylpyrimidine |
| InChI | InChI=1S/C10H14Cl2N2/c1-5-6-7(11)13-9(10(2,3)4)14-8(6)12/h5H2,1-4H3 |
| InChI Key | KFLXEXXSYYRNGQ-UHFFFAOYSA-N |
| MDL Number | MFCD18844098 |
| Molecular Formula | C10H14Cl2N2 |
| Molecular Weight | 233.1376 |
| SMILES | CCC1=C(Cl)N=C(C(C)(C)C)N=C1Cl |
| Synonyms | 2-tert-butyl-4,6-dichloro-5-ethylpyrimidine,
1341681-83-1,
ZINC71373517,
AKOS012923498,
NE21174,
EN300-91417,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.053404g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.13g/mol |
| Monoisotopic Mass | 232.053404g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number