| CAS Number | 1251146-77-6 |
| Catalog Number | AG01ABCU(AGN-PC-0WO65R) |
| Chemical Name | [1-(6-Chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol |
| IUPAC Name | [1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol |
| InChI | InChI=1S/C9H12ClN3O/c10-8-4-9(12-6-11-8)13-3-1-2-7(13)5-14/h4,6-7,14H,1-3,5H2 |
| InChI Key | PQHHCVNVKFWVLZ-UHFFFAOYSA-N |
| MDL Number | MFCD14661080 |
| Molecular Formula | C9H12ClN3O |
| Molecular Weight | 213.6641 |
| SMILES | OCC1N(C2=NC=NC(Cl)=C2)CCC1 |
| Synonyms | [1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol,
1251146-77-6,
(1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol,
AKOS010670240,
NE15826,
EN300-71253,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.665g/mol |
| Monoisotopic Mass | 213.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number