| CAS Number | 942070-50-0 |
| Catalog Number | AG0065YF(AGN-PC-0WAC7L) |
| Chemical Name | 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-boronic acid pinacol ester |
| IUPAC Name | 7-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine |
| InChI | InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-8-5-6-16-11(15)10(8)17-9/h5-7,17H,1-4H3 |
| InChI Key | AUILFKILUDUEJP-UHFFFAOYSA-N |
| MDL Number | MFCD12405489 |
| Molecular Formula | C13H16BClN2O2 |
| Molecular Weight | 278.5423 |
| SMILES | Clc1nccc2c1[nH]c(c2)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 942070-50-0,
7-Chloro-1H-pyrrolo[2,3-c]pyridine-2-boronic acid pinacol ester,
7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE,
CTK5H5800,
DTXSID20681951,
MFCD12405489,
AKOS027253171,
ZINC169935535,
ZINC258837506,
OR360996,
A-3946,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.543g/mol |
| Monoisotopic Mass | 278.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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