2-Fluoro-3-Methoxyphenylboronic acid

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Product Information

Molecular Formula:
C7H8BFO3
Molecular Weight:
169.95
Description
2-Fluoro-3-methoxyphenylboronic acid was used as the reactant to participate in the regional selective suzuki coupling, the preparation of 17 hydroxysteroid dehydrogenase type 1 inhibitors, and the preparation of boron esters.
Synonyms
2-fluoro-3-methoxybenzeneboronic acid; Boronic acid, (2-fluoro-3-methoxyphenyl)-; MFCD02094728; 2-fluoro-3-methoxy-phenyl-boronic acid; AK-34813; BC000799
IUPAC Name
(2-fluoro-3-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C(=CC=C1)OC)F)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChI Key
JCKZNMSBFBPDPM-UHFFFAOYSA-N
Boiling Point
326.8±52.0 °C (Predicted)
Melting Point
117-122 °C
Purity
98 % (HPLC)
Density
1.260±0.10 g/cm3 (Predicted)
Solubility
Slightly soluble in Chloroform (Heated), DMSO, Methanol
Appearance
White-like powder
Storage
-20 °C
LogP
-0.48590

Safety Information

Precautionary Statement
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, 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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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