| CAS Number | 1357946-70-3 |
| Catalog Number | AG00A5E2(AGN-PC-0WD4E8) |
| Chemical Name | 3-Bromo-6-chloro-1h-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 3-bromo-6-chloro-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C6H3BrClN3/c7-5-3-1-2-4(8)9-6(3)11-10-5/h1-2H,(H,9,10,11) |
| InChI Key | RLPKMCBJXWGFGK-UHFFFAOYSA-N |
| MDL Number | MFCD22380451 |
| Molecular Formula | C6H3BrClN3 |
| Molecular Weight | 232.4651 |
| SMILES | ClC1=NC2=C(C=C1)C(Br)=NN2 |
| Synonyms | 3-Bromo-6-chloro-1H-pyrazolo[3,4-b]pyridine,
1357946-70-3,
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-6-chloro-,
SCHEMBL11963235,
MFCD22380451,
ZINC95628714,
FCH1616937,
QC-9591,
SB16161,
KS-0000061W,
AS-51626,
AJ-133062,
AX8283151,
CS-0051459,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.465g/mol |
| Monoisotopic Mass | 230.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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