| CAS Number | 1240526-73-1 |
| Catalog Number | AG009DDF(AGN-PC-0WA87L) |
| Chemical Name | 3-Bromo-4-Chloro-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidine |
| IUPAC Name | 3-bromo-4-chloro-1-methylpyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C6H4BrClN4/c1-12-6-3(4(7)11-12)5(8)9-2-10-6/h2H,1H3 |
| InChI Key | FVGVGUBKQFIPMD-UHFFFAOYSA-N |
| MDL Number | MFCD16547665 |
| Molecular Formula | C6H4BrClN4 |
| Molecular Weight | 247.4798 |
| SMILES | CN1C2=C(C(=NC=N2)Cl)C(Br)=N1 |
| Synonyms | 3-bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine,
1240526-73-1,
AC1Q404T,
SCHEMBL18642024,
DTXSID60677631,
ZINC47844207,
AKOS026729515,
NE25729,
QC-3826,
DA-19267,
FT-0734210,
EN300-64396,
3-bromo-4-chloro-1-methylpyrazolo[3,4-d]pyrimidine,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.48g/mol |
| Monoisotopic Mass | 245.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number