| CAS Number | 1092579-78-6 |
| Catalog Number | AG0094L1(AGN-PC-0WAHNI) |
| Chemical Name | 5-Bromo-4-chloro-3-iodo-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 5-bromo-4-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C6H2BrClIN3/c7-2-1-10-6-3(4(2)8)5(9)11-12-6/h1H,(H,10,11,12) |
| InChI Key | PJPZPJYPWWPXNW-UHFFFAOYSA-N |
| MDL Number | MFCD21604023 |
| Molecular Formula | C6H2BrClIN3 |
| Molecular Weight | 358.3616 |
| SMILES | ClC1=C2C(I)=NNC2=NC=C1Br |
| Synonyms | 5-Bromo-4-chloro-3-iodo-1H-pyrazolo[3,4-b]pyridine,
1092579-78-6,
5-bromo-4-chloro-3-iodo-2H-pyrazolo[3,4-b]pyridine,
SCHEMBL2113356,
DTXSID80727046,
KS-00000P1D,
MFCD21604023,
ZINC91301504,
ACN-045302,
FCH1564071,
AK-65027,
DS-15708,
SC-48923,
AJ-129696,
AX8216895,
CS-0036920,
1H-Pyrazolo[3,4-b]pyridine, 5-broMo-4-chloro-3-iodo-,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.817g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.361g/mol |
| Monoisotopic Mass | 356.817g/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
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number