2-Fluoro-3-formylphenylboronic acid

Product Information

Molecular Formula:
C7H6BFO3
Molecular Weight:
167.93
Description
Reactant involved in Suzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindoles.
Synonyms
(2-fluoro-3-formylphenyl)boronic acid
IUPAC Name
(2-fluoro-3-formylphenyl)boronic acid
Canonical SMILES
B(C1=C(C(=CC=C1)C=O)F)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4,11-12H
InChI Key
YJXJCPZHXDDRNH-UHFFFAOYSA-N
Boiling Point
352.5 °C at 760 mmHg
Melting Point
100-105 °C (lit.)
Purity
97 %
Density
1.33 g/cm3
Appearance
White to tan powder, crystals or crystalline powder and/or chunks
LogP
-0.68200

Safety Information

Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
168.0394024 g/mol
Monoisotopic Mass
168.0394024 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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
WO-2021169963-A1 Aromatic compound and use thereof in preparing antineoplastic drugs 2020-02-24
WO-2017106552-A1 Potentiators of beta-lactam antibiotics and combination therapy 2015-12-15
CN-104820100-A Lectin simulant preparation method and application based on molecular imprinting technique 2015-04-16
CN-104820100-B The preparation method of the aggegation mimetics based on molecular imprinting technology and application 2015-04-16
CN-104549182-A Branched boric acid functionalized monolithic column and preparation method and application thereof 2014-12-29
CN-104549182-B A kind of dendroid boric acid functionalization integral post and its preparation method and application 2014-12-29
AU-2014398875-A1 Pyrazole compounds as modulators of FSHR and uses thereof 2014-06-23
AU-2014398875-B2 Pyrazole compounds as modulators of FSHR and uses thereof 2014-06-23
AU-2020201240-A1 Pyrazole compounds as modulators of FSHR and uses thereof 2014-06-23
CA-2955415-A1 Pyrazole compounds as modulators of fshr and uses thereof 2014-06-23
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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