| CAS Number | 2105905-46-0 |
| Catalog Number | AG01DI8Y |
| Chemical Name | 4,6-Dichloro-1H-Pyrazolo[3,4-B]Pyridine |
| IUPAC Name | 4,6-dichloro-1H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C6H3Cl2N3/c7-4-1-5(8)10-6-3(4)2-9-11-6/h1-2H,(H,9,10,11) |
| InChI Key | KBMYBHMAMVXIQL-UHFFFAOYSA-N |
| MDL Number | MFCD31580212 |
| Molecular Formula | C6H3Cl2N3 |
| Molecular Weight | 188.0141 |
| SMILES | Clc1c2c(nc(c1)Cl)[nH]nc2 |
| Synonyms | 4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine,
2105905-46-0,
SCHEMBL561294,
CS-0047197,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.011g/mol |
| Monoisotopic Mass | 186.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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