| CAS Number | 889451-24-5 |
| Catalog Number | AG00IFIQ(AGN-PC-0WBREU) |
| Chemical Name | 3-BROMO-1-TOSYL-1H-PYRAZOLO[3,4-B]PYRIDINE |
| IUPAC Name | 3-bromo-1-(4-methylphenyl)sulfonylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C13H10BrN3O2S/c1-9-4-6-10(7-5-9)20(18,19)17-13-11(12(14)16-17)3-2-8-15-13/h2-8H,1H3 |
| InChI Key | YHNVMTSUQQQPLV-UHFFFAOYSA-N |
| MDL Number | MFCD22628107 |
| Molecular Formula | C13H10BrN3O2S |
| Molecular Weight | 352.2064 |
| SMILES | O=S(N1N=C(Br)C2=CC=CN=C21)(C3=CC=C(C)C=C3)=O |
| Synonyms | 3-bromo-1-tosyl-1H-pyrazolo[3,4-b]pyridine,
889451-24-5,
3-bromo-1-(4-methylbenzenesulfonyl)-1H-pyrazolo[3,4-b]pyridine,
3-Bromo-1-(p-tolylsulfonyl)pyrazolo[3,4-b]pyridine,
SCHEMBL1593280,
YHNVMTSUQQQPLV-UHFFFAOYSA-N,
MFCD22628107,
ZINC95918516,
AKOS025290757,
SB21819,
KS-0000082I,
AK170516,
AS-34857,
ST1171131,
CS-0051502,
Q-4972,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.206g/mol |
| Monoisotopic Mass | 350.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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