[4-Methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid

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Product Information

Molecular Formula:
C10H11BN2O3
Molecular Weight:
218.02
Description
4-Methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid is a pharmaceutical intermediate extensively used in biomedical research. It plays a critical role in the synthesis of potential therapeutic agents for neurodegenerative diseases, particularly Parkinson's disease, due to its properties of binding and activating dopamine receptors.
Synonyms
(4-Methoxy-2-(1H-pyrazol-1-yl)phenyl)boronic acid; (4-methoxy-2-pyrazol-1-ylphenyl)boronic acid; boronic acid, [4-methoxy-2-(1H-pyrazol-1-yl)phenyl]-; [4-Methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid
IUPAC Name
(4-methoxy-2-pyrazol-1-ylphenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)OC)N2C=CC=N2)(O)O
InChI
InChI=1S/C10H11BN2O3/c1-16-8-3-4-9(11(14)15)10(7-8)13-6-2-5-12-13/h2-7,14-15H,1H3
InChI Key
HNIWENQDOKNTLY-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
218.0862724 g/mol
Monoisotopic Mass
218.0862724 g/mol
Topological Polar Surface Area
67.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
230
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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