3-Fluoro-2-formylphenylboronic acid
Product Information
Molecular Formula
C7H6BFO3
Molecular Weight
167.93
Description
Undergoes unprecedented tautomeric rearrangement in solution.
Synonyms
(3-fluoro-2-formylphenyl)boronic acid
IUPAC Name
(3-fluoro-2-formylphenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)F)C=O)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H
InChI Key
GVHWLCYABLWGIR-UHFFFAOYSA-N
Melting Point
123-127 °C
Flash Point
Not applicable
Purity
≥ 95 %
Appearance
White to tan powder
Storage
2-8 °C
LogP
-0.68200
Safety Information
Hazards
H314
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger
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-2022040157-A1 | Boron containing compounds and their uses | 2020-08-18 |
| CN-110437119-B | N-substituted nitrogen heterocyclic derivative and preparation method and application thereof | 2019-09-05 |
| EP-3674308-A1 | Organometallic compound and organic light-emitting device including the same | 2018-12-28 |
| US-2020212319-A1 | Organometallic compound and organic light-emitting device including the same | 2018-12-28 |
| CN-111377974-A | Organometallic compound and organic light emitting device including the same | 2018-12-28 |
| EP-3674308-B1 | Organometallic compound and organic light-emitting device including the same | 2018-12-28 |
| JP-2020059709-A | Organic metal compound and organic light emitting device containing the same | 2018-10-08 |
| CN-107176956-A | A kind of IDO inhibitor compound, Pharmaceutical composition, purposes | 2017-05-31 |
| CN-107176956-B | A kind of IDO inhibitor compound, Pharmaceutical composition, purposes | 2017-05-31 |
| WO-2018175954-A1 | Synthesis of imidazo[5,1-a]isoindole derivative useful as ido inhibitors | 2017-03-23 |
