3-pyrazol-1-yl-phenylboronic acid

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Product Information

Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.99
Description
3-pyrazol-1-yl-phenylboronic acid is a biomedical compound used in the development of pharmaceutical drugs. It exhibits drug development potential in treating various diseases including cancer, diabetes, and inflammation
Synonyms
(3-(1H-pyrazol-1-yl)phenyl)boronic acid; [3-(1H-pyrazol-1-yl)phenyl]boronic acid; 3-(1H-pyrazol-1-yl)phenylboronic acid; (3-pyrazol-1-ylphenyl)boronic acid; n,n-dibenzylglycinamide; (3-(1H-pyrazol-1-yl)phenyl)boronicacid; 3-Pyrazol-1-ylphenylboronic acid; 3-1H-pyrazolyl-phenylboronic acid; ALBB-011833; 3-(1H-pyrazolyl)-phenylboronic acid; 3-(1-H-pyrazole-1-yl)phenylboronic acid
IUPAC Name
(3-pyrazol-1-ylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)N2C=CC=N2)(O)O
InChI
InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7,13-14H
InChI Key
NMBKAXJHGMDYGA-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
3
Rotatable Bond Count
2
Exact Mass
188.0757077 g/mol
Monoisotopic Mass
188.0757077 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
192
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

Calculate

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