| CAS Number | 405931-10-4 |
| Catalog Number | AG01DWEX(AGN-PC-03RUWT) |
| Chemical Name | 4-Chloro-6-(cycloheptyloxy)pyrimidine |
| IUPAC Name | 4-chloro-6-cycloheptyloxypyrimidine |
| InChI | InChI=1S/C11H15ClN2O/c12-10-7-11(14-8-13-10)15-9-5-3-1-2-4-6-9/h7-9H,1-6H2 |
| InChI Key | IJGJUKCEOLLLSO-UHFFFAOYSA-N |
| MDL Number | MFCD20280381 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | ClC1=NC=NC(OC2CCCCCC2)=C1 |
| Synonyms | 4-chloro-6-(cycloheptyloxy)pyrimidine,
405931-10-4,
SCHEMBL5399844,
IJGJUKCEOLLLSO-UHFFFAOYSA-N,
4-chloro-6-cycloheptyloxypyrimidine,
AKOS010529900,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number