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

Technical Data

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Computed Properties

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

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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