2-Chloro-3-methoxyphenylboronic Acid - CAS 854778-30-6

Catalog:	BB037629
Product Name:	2-Chloro-3-methoxyphenylboronic Acid
CAS:	854778-30-6
Synonyms:	(2-chloro-3-methoxyphenyl)boronic acid; (2-chloro-3-methoxyphenyl)boronic acid

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Computed Properties

IUPAC Name:	(2-chloro-3-methoxyphenyl)boronic acid
Description:	2-Chloro-3-methoxyphenylboronic Acid (CAS# 854778-30-6) is a useful research chemical.
Molecular Weight:	186.40
Molecular Formula:	C7H8ClO3B
Canonical SMILES:	B(C1=C(C(=CC=C1)OC)Cl)(O)O
InChI:	InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChI Key:	ZDWONVAXOXYOJK-UHFFFAOYSA-N
LogP:	0.02840

Publication Number	Title	Priority Date
CN-111675626-A	Ionone alkaloid derivative and medical application thereof	20200319
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108
WO-2021088945-A1	Compound as shp2 inhibitor and use thereof	20191108
WO-2020186220-A1	Compounds as inhibitors of macrophage migration inhibitory factor	20190313
WO-2020132071-A1	Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and f1brotic disease	20181219

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0255020
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0255020
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0