| CAS Number | 130024-05-4 |
| Catalog Number | AG01AI1V |
| Chemical Name | 6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 6-chloro-1-phenyl-4,7-dihydropyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C11H9ClN4/c12-11-13-6-8-7-14-16(10(8)15-11)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,13,15) |
| InChI Key | XNKXPYASJUEJSR-UHFFFAOYSA-N |
| MDL Number | MFCD19381862 |
| Molecular Formula | C11H9ClN4 |
| Molecular Weight | 232.6690 |
| SMILES | ClC1NCC2C=NN(C3=CC=CC=C3)C=2N=1 |
| Synonyms | 6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidine,
130024-05-4,
ZINC34343108,
AKOS015830635,
NE26961,
EN300-76491,
Z2195096826,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.671g/mol |
| Monoisotopic Mass | 232.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number