| CAS Number | 1241675-24-0 |
| Catalog Number | AG000LL9(AGN-PC-0WD86S) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-3-iodo-1-[(4-methylphenyl)sulfonyl]- |
| IUPAC Name | 5-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C14H10ClIN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18/h2-8H,1H3 |
| InChI Key | NJVXZTXQZUABTK-UHFFFAOYSA-N |
| MDL Number | MFCD12964075 |
| Molecular Formula | C14H10ClIN2O2S |
| Molecular Weight | 432.6639 |
| SMILES | Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Cl)cnc32)cc1 |
| Synonyms | 1241675-24-0,
5-chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine,
5-Chloro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine,
SCHEMBL18995268,
DTXSID90857505,
KS-000005EE,
MFCD12964075,
ZINC95830774,
5-Chloro-3-iodo-1-tosyl-7-azaindole,
AS-53138,
AJ-134913,
CS-0050530,
1H-Pyrrolo[2,3-b]pyridine, 5-chloro-3-iodo-1-[(4-methylphenyl)sulfonyl]-,
5-Chloro-3-iodo-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine,
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| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.66g/mol |
| Monoisotopic Mass | 431.92g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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