3-Methylindole-6-boronic Acid Pinacol Ester - CAS 1300582-52-8
Catalog: |
BB007041 |
Product Name: |
3-Methylindole-6-boronic Acid Pinacol Ester |
CAS: |
1300582-52-8 |
Synonyms: |
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
IUPAC Name: | 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
Description: | 3-Methylindole-6-boronic Acid Pinacol Ester (CAS# 1300582-52-8) is a useful research chemical. |
Molecular Weight: | 257.14 |
Molecular Formula: | C15H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=CN3)C |
InChI: | InChI=1S/C15H20BNO2/c1-10-9-17-13-8-11(6-7-12(10)13)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3 |
InChI Key: | ZQHGLGIKGQGLEB-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2010316780-A1 | Novel benzopyran kinase modulators | 20091105 |
AU-2010316780-B2 | Novel benzopyran kinase modulators | 20091105 |
AU-2015243070-A1 | Novel kinase modulators | 20091105 |
AU-2015243070-B2 | Novel kinase modulators | 20091105 |
CA-2779574-A1 | Novel kinase modulators | 20091105 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.158709 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.158709 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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