2-Chloro-4-hydroxyphenylboronic Acid - CAS 766549-26-2

Catalog:	BB035657
Product Name:	2-Chloro-4-hydroxyphenylboronic Acid
CAS:	766549-26-2
Synonyms:	(2-chloro-4-hydroxyphenyl)boronic acid; (2-chloro-4-hydroxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-chloro-4-hydroxyphenyl)boronic acid
Description:	2-Chloro-4-hydroxyphenylboronic Acid (CAS# 766549-26-2) is a useful research chemical.
Molecular Weight:	172.37
Molecular Formula:	C6H6ClO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)O)Cl)(O)O
InChI:	InChI=1S/C6H6BClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9-11H
InChI Key:	NRBQMBXPVAUMJY-UHFFFAOYSA-N
Boiling Point:	380.7 °C at 760 mmHg
Density:	1.49 g/cm³
LogP:	-0.27460

Publication Number	Title	Priority Date
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
CN-112574224-A	KRAS G12C inhibitor and application thereof	20190930
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930
WO-2019138107-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20180115

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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