3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1051316-34-7

Name: 3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB001560
Product Name:	3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester
CAS:	1051316-34-7
Synonyms:	[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Technical Data

IUPAC Name:	[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
Description:	3-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1051316-34-7) is a useful research chemical.
Molecular Weight:	268.54
Molecular Formula:	C13H18ClO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CO)Cl
InChI:	InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key:	BLQXWYINFTVLEL-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020039027-A1	Pyrrolidine glycosidase inhibitors	20180822
US-2021213005-A1	Pyrrolidine glycosidase inhibitors	20180822
AU-2007272783-A1	Fused heterocyclic derivatives and methods of use	20060714
AU-2007272783-B2	Fused heterocyclic derivatives and methods of use	20060714
CA-2657327-A1	Fused heterocyclic derivatives and methods of use	20060714

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.1037523
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.1037523
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0