| CAS Number | 83774-10-1 |
| Catalog Number | AG01A5IX(AGN-PC-00OA8X) |
| Chemical Name | 2-chloro-4-propoxypyrimidine |
| IUPAC Name | 2-chloro-4-propoxypyrimidine |
| InChI | InChI=1S/C7H9ClN2O/c1-2-5-11-6-3-4-9-7(8)10-6/h3-4H,2,5H2,1H3 |
| InChI Key | FCXXPNJXBIGVFF-UHFFFAOYSA-N |
| MDL Number | MFCD16712401 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | CCCOC1=NC(Cl)=NC=C1 |
| Synonyms | 2-chloro-4-propoxypyrimidine,
83774-10-1,
SCHEMBL16885185,
ZINC51848957,
AKOS011623098,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number