| CAS Number | 864292-48-8 |
| Catalog Number | AG004NLD(AGN-PC-0CCZSP) |
| Chemical Name | 4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine |
| IUPAC Name | 4,6-dichloro-1-ethylpyrazolo[3,4-d]pyrimidine |
| InChI | InChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3 |
| InChI Key | MBSDYSAYKSKMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD16249852 |
| Molecular Formula | C7H6Cl2N4 |
| Molecular Weight | 217.0553 |
| SMILES | CCn1ncc2c1nc(Cl)nc2Cl |
| Synonyms | 4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine,
864292-48-8,
SCHEMBL2189832,
CTK8C2763,
DTXSID80729126,
MBSDYSAYKSKMQZ-UHFFFAOYSA-N,
3535AC,
ANW-68965,
MFCD16249852,
ZINC85221873,
AKOS016005714,
FCH1396351,
AK-55074,
AJ-127159,
AX8216550,
TC-157710,
C7H6Cl2N4,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.053g/mol |
| Monoisotopic Mass | 215.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number