1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

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Product Information

Molecular Formula
C8H15BN2O2
Molecular Weight
182.03
Description
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid is an organic intermediate molecule that can be used in tumor therapy research.
Synonyms
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID; Bm524
IUPAC Name
[1-(3-methylbutyl)pyrazol-4-yl]boronic acid
SMILES
B(C1=CN(N=C1)CCC(C)C)(O)O
InChI
InChI=1S/C8H15BN2O2/c1-7(2)3-4-11-6-8(5-10-11)9(12)13/h5-7,12-13H,3-4H2,1-2H3
InChI Key
RFMLXEBQNNMUHX-UHFFFAOYSA-N
Boiling Point
342.1°C at 760 mmHg
Flash Point
Not applicable
Purity
96%
Density
1.09g/cm3

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
182.1226579 g/mol
Monoisotopic Mass
182.1226579 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
155
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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