5-Chloro-2-(trifluoromethyl)phenylboronic Acid - CAS 1195945-67-5

Catalog:	BB004532
Product Name:	5-Chloro-2-(trifluoromethyl)phenylboronic Acid
CAS:	1195945-67-5
Synonyms:	[5-chloro-2-(trifluoromethyl)phenyl]boronic acid; [5-chloro-2-(trifluoromethyl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[5-chloro-2-(trifluoromethyl)phenyl]boronic acid
Description:	5-Chloro-2-(trifluoromethyl)phenylboronic Acid (CAS# 1195945-67-5) is a useful research chemical.
Molecular Weight:	224.37
Molecular Formula:	C7H5ClF3O2B
Canonical SMILES:	B(C1=C(C=CC(=C1)Cl)C(F)(F)F)(O)O
InChI:	InChI=1S/C7H5BClF3O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChI Key:	ILPIBSAMAZDGRC-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD08274471
LogP:	1.03860

Publication Number	Title	Priority Date
JP-2018170236-A	Nonaqueous electrolyte for batteries and lithium secondary battery	20170330
JP-6884020-B2	Non-aqueous electrolyte for batteries and lithium secondary battery	20170330
JP-2016095965-A	Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device	20141113
AU-2015253232-A1	Substituted 4-phenylpiperidines, their preparation and use	20140430
CA-2947174-A1	Substituted 4-phenylpiperidines, their preparaiton and use	20140430

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Related Functional Groups

Boronic Acids and Esters

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0023217
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.0023217
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0