| CAS Number | 83255-88-3 |
| Catalog Number | AG00IDA9(AGN-PC-0WNNE5) |
| Chemical Name | 4-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 4-bromo-1-methylpyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C6H5BrN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3 |
| InChI Key | PJEJZRCZVOPFOD-UHFFFAOYSA-N |
| MDL Number | MFCD11640404 |
| Molecular Formula | C6H5BrN4 |
| Molecular Weight | 213.0347 |
| SMILES | CN1C2=C(C(=NC=N2)Br)C=N1 |
| Synonyms | 4-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidine,
83255-88-3,
MFCD11640404,
ZINC37239139,
AKOS009456293,
NE23619,
SB11138,
AS-50820,
CS-0055425,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.038g/mol |
| Monoisotopic Mass | 211.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number