2-Chloro-3-hydroxyphenylboronic Acid - CAS 854778-29-3

Catalog:	BB037628
Product Name:	2-Chloro-3-hydroxyphenylboronic Acid
CAS:	854778-29-3
Synonyms:	(2-chloro-3-hydroxyphenyl)boronic acid; (2-chloro-3-hydroxyphenyl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-chloro-3-hydroxyphenyl)boronic acid
Description:	2-Chloro-3-hydroxyphenylboronic Acid (CAS# 854778-29-3) is a useful research chemical.
Molecular Weight:	172.37
Molecular Formula:	C6H6ClO3B
Canonical SMILES:	B(C1=C(C(=CC=C1)O)Cl)(O)O
InChI:	InChI=1S/C6H6BClO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9-11H
InChI Key:	GKXYVKGHSCGXGC-UHFFFAOYSA-N
LogP:	-0.27460

Publication Number	Title	Priority Date
CA-2869416-A1	Mannose derivatives for treating bacterial infections	20120307
EP-2822956-A1	Mannose derivatives for treating bacterial infections	20120307
US-2013261077-A1	Mannose derivatives for treating bacterial infections	20120307
WO-2013134415-A1	Mannose derivatives for treating bacterial infections	20120307
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Related Functional Groups

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Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0098519
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	172.0098519
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0