| CAS Number | 1353856-95-7 |
| Catalog Number | AG01BTO2(AGN-PC-0WOM0G) |
| Chemical Name | 4,6-Dichloro-2-cyclobutylpyrimidine |
| IUPAC Name | 4,6-dichloro-2-cyclobutylpyrimidine |
| InChI | InChI=1S/C8H8Cl2N2/c9-6-4-7(10)12-8(11-6)5-2-1-3-5/h4-5H,1-3H2 |
| InChI Key | FEPXBNBIBVQUQC-UHFFFAOYSA-N |
| MDL Number | MFCD21099897 |
| Molecular Formula | C8H8Cl2N2 |
| Molecular Weight | 203.0685 |
| SMILES | ClC1=CC(Cl)=NC(C2CCC2)=N1 |
| Synonyms | 4,6-dichloro-2-cyclobutylpyrimidine,
1353856-95-7,
4,6-dichloro-2-(cyclobutyl)pyrimidine,
ZINC72193251,
AKOS014312393,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.066g/mol |
| Monoisotopic Mass | 202.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number