4-Fluoro-3-(tetrazol-5-yl)phenylboronic acid

Product Information

Molecular Formula:
C7H6BFN4O2
Molecular Weight:
207.96
Description
Used in palladium-catalyzed, Suzuki-Miyuara cross coupling reactions
Synonyms
4-Fluoro-3-(1H)-tetrazol-5-yl)phenylboronic acid
IUPAC Name
[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)F)C2=NNN=N2)(O)O
InChI
InChI=1S/C7H6BFN4O2/c9-6-2-1-4(8(14)15)3-5(6)7-10-12-13-11-7/h1-3,14-15H,(H,10,11,12,13)
InChI Key
FELFJHZMQYCKPT-UHFFFAOYSA-N
Melting Point
163-168 °C
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
208.0567838 g/mol
Monoisotopic Mass
208.0567838 g/mol
Topological Polar Surface Area
94.9Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
223
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-10513521-B2 Compositions and methods for inhibiting BMP 2014-07-15
US-2017197968-A1 Compositions and Methods for Inhibiting BMP 2014-07-15
WO-2016011019-A1 Compositions and methods for inhibiting bmp 2014-07-15
EP-2558577-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
US-2013281324-A1 Bi-functinal complexes and methods for making and using such complexes 2010-04-16
WO-2011127933-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
CA-2659851-A1 2-methylmorpholine pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mtor inhibitors 2006-08-23
CA-2659851-C 2-methylmorpholine pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mtor inhibitors 2006-08-23
DK-2057156-T3 2-METHYLMORPHOLINPYRIDO, PYRAZO AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS 2006-08-23
EP-2057156-A1 2-methylmorpholine pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mtor inhibitors 2006-08-23
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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