3-Cyano-5-(trifluoromethyl)phenylboronic Acid - CAS 1212021-62-9

Catalog:	BB005108
Product Name:	3-Cyano-5-(trifluoromethyl)phenylboronic Acid
CAS:	1212021-62-9
Synonyms:	[3-cyano-5-(trifluoromethyl)phenyl]boronic acid; [3-cyano-5-(trifluoromethyl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[3-cyano-5-(trifluoromethyl)phenyl]boronic acid
Description:	3-Cyano-5-(trifluoromethyl)phenylboronic Acid (CAS# 1212021-62-9) is a useful research chemical.
Molecular Weight:	214.94
Molecular Formula:	C8H5F3NO2B
Canonical SMILES:	B(C1=CC(=CC(=C1)C(F)(F)F)C#N)(O)O
InChI:	InChI=1S/C8H5BF3NO2/c10-8(11,12)6-1-5(4-13)2-7(3-6)9(14)15/h1-3,14-15H
InChI Key:	CTJAWCWPRYNDDQ-UHFFFAOYSA-N
Solubility:	Slightly soluble in water.
Appearance:	Solid
Storage:	Sealed in dry, 2-8 °C
LogP:	0.25688

Publication Number	Title	Priority Date
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
US-2011218192-A1	Inhibitors Of Beta-Secretase	20080819
WO-2010021680-A2	Inhibitors of beta-secretase	20080819

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Related Functional Groups

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Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.0365431
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.0365431
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0