3-Isobutoxyphenylboronic acid

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Product Information

Molecular Formula
C10H15BO3
Description
3-Isobutoxyphenylboronic acid is widely used in drug formulations and research for cancer, diabetes and arthritis.
Synonyms
3-Isobutoxyphenylboronicacid; [3-(2-METHYLPROPOXY)PHENYL]BORONIC ACID; (3-Isobutoxyphenyl)boronic acid; 3-isobutoxyphenyl boronic acid; [3-(Isobutoxy)phenyl]boronic acid
IUPAC Name
[3-(2-methylpropoxy)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)OCC(C)C)(O)O
InChI
InChI=1S/C10H15BO3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChI Key
TZOSYEUNKIDTBY-UHFFFAOYSA-N
Boiling Point
344°C at 760 mmHg
Melting Point
90-95°C(lit.)
Purity
98%
Density
1.08g/cm3

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
161
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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