| CAS Number | 2021203-20-1 |
| Catalog Number | AG01FSD4(AGN-PC-3H602G) |
| Chemical Name | 5-Chloro-3-nitro-1H-pyrazolo[4,3-b]pyridine |
| IUPAC Name | 5-chloro-3-nitro-2H-pyrazolo[4,3-b]pyridine |
| InChI | InChI=1S/C6H3ClN4O2/c7-4-2-1-3-5(8-4)6(10-9-3)11(12)13/h1-2H,(H,9,10) |
| InChI Key | XGQXEWQLZXWKTB-UHFFFAOYSA-N |
| MDL Number | MFCD31728520 |
| Molecular Formula | C6H3ClN4O2 |
| Molecular Weight | 198.5666 |
| SMILES | ClC1=CC=C2C(=N1)C(=NN2)[N+](=O)[O-] |
| Synonyms | 5-Chloro-3-nitro-1H-pyrazolo[4,3-b]pyridine,
2021203-20-1,
SCHEMBL18130786,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.994453g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.57g/mol |
| Monoisotopic Mass | 197.994453g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 87.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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