2-Chloro-4-isopropoxyphenylboronic Acid - CAS 313545-47-0

Catalog:	BB020892
Product Name:	2-Chloro-4-isopropoxyphenylboronic Acid
CAS:	313545-47-0
Synonyms:	(2-chloro-4-propan-2-yloxyphenyl)boronic acid; (2-chloro-4-propan-2-yloxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-chloro-4-propan-2-yloxyphenyl)boronic acid
Description:	2-Chloro-4-isopropoxyphenylboronic Acid (CAS# 313545-47-0) is a useful research chemical.
Molecular Weight:	214.45
Molecular Formula:	C9H12ClO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)OC(C)C)Cl)(O)O
InChI:	InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3
InChI Key:	OKGHQUDYWHNUKC-UHFFFAOYSA-N
Boiling Point:	356 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	0.80700

Publication Number	Title	Priority Date
WO-2021088787-A1	Quinazoline compound used as axl inhibitor	20191107
JP-2019519564-A	Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic disorders	20160628
JP-6914974-B2	Bicyclic imidazole derivatives useful in the treatment of renal, cardiovascular, and fibrotic disorders	20160628
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0568021
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.0568021
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0