CAS 128796-39-4 | Boronic acid, B-[4-(trifluoromethyl)phenyl]- | CAS Number 128796-39-4

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128796-39-4 | Boronic acid, B-[4-(trifluoromethyl)phenyl]-

CAS No: 128796-39-4 Catalog No: AG000YEL MDL No:MFCD00151855

Product Description

Catalog Number:

AG000YEL

Chemical Name:

Boronic acid, B-[4-(trifluoromethyl)phenyl]-

CAS Number:

128796-39-4

Molecular Formula:

C7H6BF3O2

Molecular Weight:

189.9275

MDL Number:

MFCD00151855

IUPAC Name:

[4-(trifluoromethyl)phenyl]boronic acid

InChI:

InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H

InChI Key:

ALMFIOZYDASRRC-UHFFFAOYSA-N

SMILES:

OB(c1ccc(cc1)C(F)(F)F)O

Properties

Complexity:

164

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.928g/mol

Monoisotopic Mass:

190.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Aryl boronic acid inhibition of synthetic melanin polymerization.	Bioorganic & medicinal chemistry letters 20100801
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase.	Journal of medicinal chemistry 20081127
ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism.	Nature chemical biology 20071101