Potassium 1H-indole-6-trifluoroborate - CAS 1111733-01-7

Catalog:	BB056765
Product Name:	Potassium 1H-indole-6-trifluoroborate
CAS:	1111733-01-7
Synonyms:	Potassium trifluoro(1H-indol-6-yl)borate; potassium; trifluoro(1H-indol-6-yl)boranuide; POTASSIUM TRIFLUORO(1H-INDOL-6-YL)BORANUIDE; Potassium indol-6-yl trifluoroborate; Potassium indole-6-trifluoroborate, 95%

Technical Data

IUPAC Name:	potassiumtrifluoro(1H-indol-6-yl)boranuide
Description:	Potassium 1H-indole-6-trifluoroborate is a reagent used to prepare boronic acids and esters via hydrolysis of potassium organotrifluoroborates with silica gel and water.
Molecular Weight:	223.02
Molecular Formula:	C8H6BF3N·K
Canonical SMILES:	[B-](C1=CC2=C(C=C1)C=CN2)(F)(F)F.[K+]
InChI:	InChI=1S/C8H6BF3N.K/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H/q-1+1
InChI Key:	QRRROZIXUXOCTN-UHFFFAOYSA-N
References:	Molander, Gary A., Journal of Organic Chemistry, 74, 7364-7369, (2009).

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0182453
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0182453
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0