2-Chloro-5-(trifluoromethoxy)phenylboronic Acid - CAS 1022922-16-2

Catalog:	BB000825
Product Name:	2-Chloro-5-(trifluoromethoxy)phenylboronic Acid
CAS:	1022922-16-2
Synonyms:	[2-chloro-5-(trifluoromethoxy)phenyl]boronic acid; [2-chloro-5-(trifluoromethoxy)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[2-chloro-5-(trifluoromethoxy)phenyl]boronic acid
Description:	2-Chloro-5-(trifluoromethoxy)phenylboronic Acid (CAS# 1022922-16-2) is a useful research chemical.
Molecular Weight:	240.37
Molecular Formula:	C7H5ClF3O3B
Canonical SMILES:	B(C1=C(C=CC(=C1)OC(F)(F)F)Cl)(O)O
InChI:	InChI=1S/C7H5BClF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key:	BAEHYECKXGVYKR-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.91840

Publication Number	Title	Priority Date
AU-2017364901-A1	Compounds and their methods of use	20161128
BR-112019010880-A2	compounds and their methods of use	20161128
EP-3548033-A1	Compounds and their methods of use	20161128
JP-2019535838-A	Compound and method of use thereof	20161128
WO-2018098499-A1	Compounds and their methods of use	20161128

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Related Functional Groups

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.9972364
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.9972364
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0