| CAS Number | 630107-83-4 |
| Catalog Number | AG00ELWP(AGN-PC-042I58) |
| Chemical Name | 4-Chloro-1-(2-fluorophenyl)-1H-pyrazolo[3,4-D]pyrimidine |
| IUPAC Name | 4-chloro-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C11H6ClFN4/c12-10-7-5-16-17(11(7)15-6-14-10)9-4-2-1-3-8(9)13/h1-6H |
| InChI Key | GYEMWSMYVIWILO-UHFFFAOYSA-N |
| MDL Number | MFCD11207436 |
| Molecular Formula | C11H6ClFN4 |
| Molecular Weight | 248.6435 |
| SMILES | FC1=C(N2C3=C(C(=NC=N3)Cl)C=N2)C=CC=C1 |
| Synonyms | 630107-83-4,
4-CHLORO-1-(2-FLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE,
4-Chloro-1-(fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine,
SCHEMBL12000946,
MFCD11207436,
ZINC36928356,
AS-39181,
SC-65722,
4-chloro-1-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyri,
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(2-fluorophenyl)-,
4-CHLORO-1-(2-FLUOROPHENYL)PYRAZOLO[3,4-D]PYRIMIDINE,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.645g/mol |
| Monoisotopic Mass | 248.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number