CAS 73852-19-4 | (3,5-Bis(trifluoromethyl)phenyl)boronic acid | CAS Number 73852-19-4

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73852-19-4 | (3,5-Bis(trifluoromethyl)phenyl)boronic acid

CAS No: 73852-19-4 Catalog No: AG003IJW MDL No:MFCD00051850

Product Description

Catalog Number:

AG003IJW

Chemical Name:

(3,5-Bis(trifluoromethyl)phenyl)boronic acid

CAS Number:

73852-19-4

Molecular Formula:

C8H5BF6O2

Molecular Weight:

257.9255

MDL Number:

MFCD00051850

IUPAC Name:

[3,5-bis(trifluoromethyl)phenyl]boronic acid

InChI:

InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H

InChI Key:

BPTABBGLHGBJQR-UHFFFAOYSA-N

SMILES:

OB(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O

Properties

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.926g/mol

Monoisotopic Mass:

258.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Boron-based rotaxanes by multicomponent self-assembly.	Chemical communications (Cambridge, England) 20080821
Quantitative structure-activity relationship studies of [(biphenyloxy)propyl]isoxazole derivatives. Inhibitors of human rhinovirus 2 replication.	Journal of medicinal chemistry 20070823
4,5,6,7-Tetrachlorobenzo[d][1,3,2]dioxaborol- 2-ol as an effective catalyst for the amide condensation of sterically demanding carboxylic acids.	Organic letters 20060330