5-Chlorobenzofuran-2-boronic Acid - CAS 223576-64-5

Catalog:	BB070194
Product Name:	5-Chlorobenzofuran-2-boronic Acid
CAS:	223576-64-5
Synonyms:	(5-Chlorobenzofuran-2-yl)boronic Acid; (5-Chloro-2-benzofuranyl)boronic Acid; B-(5-Chloro-2-benzofuranyl)boronic Acid

Technical Data

IUPAC Name:	(5-chloro-1-benzofuran-2-yl)boronic acid
Description:	5-Chlorobenzofuran-2-boronic Acid acts as a reagent in the synthesis of (ary)benzofuran containing natural products. Also acts as a reagent for the preparation of quinoxaline compounds for the inhibition of PASK useful in treating diseases.
Molecular Weight:	196.4
Molecular Formula:	C8H6BClO3
Canonical SMILES:	B(C1=CC2=C(O1)C=CC(=C2)Cl)(O)O
InChI:	InChI=1S/C8H6BClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChI Key:	IODPQZJZPKMFKV-UHFFFAOYSA-N
References:	Wu, D., et al. Tetrahedron Lett., 56, 4383 (2015); Mccall, J. M., et al. U.S. Pat. Appl. Publ. (2012), US 20120225863 A1 20120906.

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0098519
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0098519
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0