5-Chloro-7-azaindole-3-boronic Acid Pinacol Ester - CAS 1400994-91-3
Catalog: |
BB062320 |
Product Name: |
5-Chloro-7-azaindole-3-boronic Acid Pinacol Ester |
CAS: |
1400994-91-3 |
Synonyms: |
Methyl 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | 5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
Description: | 5-Chloro-7-azaindole-3-boronic acid, pinacol ester is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 296.55 |
Molecular Formula: | C13H18BClN2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CNC3=C2C=C(C=N3)Cl |
InChI: | InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17) |
InChI Key: | ZYKSLJNKWGNLIJ-UHFFFAOYSA-N |
References: | Charifson, P. S., et al. From PCT Int. Appl. (2012), WO 2012083122 A1 20120621. |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.0993356 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.0993356 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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