| CAS Number | 768397-43-9 |
| Catalog Number | AG01A9NP(AGN-PC-082NVF) |
| Chemical Name | 4-Chloro-6-cyclobutylpyrimidine |
| IUPAC Name | 4-chloro-6-cyclobutylpyrimidine |
| InChI | InChI=1S/C8H9ClN2/c9-8-4-7(10-5-11-8)6-2-1-3-6/h4-6H,1-3H2 |
| InChI Key | JFRRCDFABHILGQ-UHFFFAOYSA-N |
| MDL Number | MFCD16622158 |
| Molecular Formula | C8H9ClN2 |
| Molecular Weight | 168.6235 |
| SMILES | ClC1=NC=NC(=C1)C1CCC1 |
| Synonyms | 4-chloro-6-cyclobutylpyrimidine,
768397-43-9,
Pyrimidine, 4-chloro-6-cyclobutyl-,
AC1Q3KV0,
ZINC57218445,
AKOS026676552,
NE46729,
EN300-65613,
F1967-1286,
Z1982493866,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.624g/mol |
| Monoisotopic Mass | 168.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number