3-Fluoro-5-methoxyphenylboronic acid

Product Information

Molecular Formula:
C7H8BFO3
Molecular Weight:
169.95
Description
3-Fluoro-5-methoxyphenylboronic acid (CAS# 609807-25-2) is a useful research chemical.
Synonyms
(3-fluoro-5-methoxyphenyl)boronic acid; (3-fluoro-5-methoxyphenyl)boronic acid
IUPAC Name
(3-fluoro-5-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)F)OC)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
InChI Key
MQFKLCWETPKBCH-UHFFFAOYSA-N
Boiling Point
305.5 °C at 760 mmHg
Flash Point
Not applicable
Purity
98 %
Density
1.26 g/cm3
LogP
-0.48590

Safety Information

Hazards
H302
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
170.0550524 g/mol
Monoisotopic Mass
170.0550524 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145
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
CN-113264937-A 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof 2021-06-08
CN-112574216-A Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
CN-112574216-B Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
WO-2022039563-A1 Novel compounds having inhibitory activity on prostaglandin e2 receptor and uses thereof 2020-08-21
CN-111393336-A Sulfonamide compound, and metal-free catalysis construction method and application thereof 2020-03-09
WO-2021063914-A1 4-quinolinone antibacterial compounds 2019-09-30
WO-2021047406-A1 Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof 2019-09-10
WO-2021047407-A1 Biaryl compound, pharmaceutical composition comprising same, preparation method therefor, and use thereof 2019-09-10
CN-114096525-A Biaryl compounds, pharmaceutical compositions containing them, processes for their preparation and their use 2019-09-10
CN-114096533-A Tricyclic compound, pharmaceutical composition containing same, preparation method and application thereof 2019-09-10
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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