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
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 |
