| CAS Number | 1256822-80-6 |
| Catalog Number | AG000OG3(AGN-PC-0WQUR1) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-5-fluoro- |
| IUPAC Name | 3-bromo-5-fluoro-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C6H3BrFN3/c7-5-4-1-3(8)2-9-6(4)11-10-5/h1-2H,(H,9,10,11) |
| InChI Key | QKRFTNZERDLUQL-UHFFFAOYSA-N |
| MDL Number | MFCD18261249 |
| Molecular Formula | C6H3BrFN3 |
| Molecular Weight | 216.0105 |
| SMILES | FC1=CN=C(NN=C2Br)C2=C1 |
| Synonyms | 3-BROMO-5-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE,
1256822-80-6,
SCHEMBL14685108,
QKRFTNZERDLUQL-UHFFFAOYSA-N,
MFCD18261249,
ZINC96102747,
AKOS027254338,
AS-42556,
CS-0051467,
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-5-fluoro-,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.013g/mol |
| Monoisotopic Mass | 214.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number