3-Chloro-4-isopropoxyphenylboronic Acid

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Product Information

Molecular Formula:
C9H12ClO3B
Molecular Weight:
214.45
Description
Reactant for: Preparation of alkyl- and aryl quinones via silver nitrate-catalyzed coupling with quinones; Rhodium-catalyzed asymmetric arylation of alkenylheterocycles; Stereoselective and regioselective rhodium-catalyzed carbometalation of ynamides.
Synonyms
(3-chloro-4-propan-2-yloxyphenyl)boronic acid; (3-chloro-4-propan-2-yloxyphenyl)boronic acid
IUPAC Name
(3-chloro-4-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OC(C)C)Cl)(O)O
InChI
InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,12-13H,1-2H3
InChI Key
PJBWTULFEPFOEB-UHFFFAOYSA-N
Boiling Point
357.1 °C at 760 mmHg
Melting Point
140-145 °C (lit.)
Density
1.23 g/cm3
LogP
0.80700

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
214.0568021 g/mol
Monoisotopic Mass
214.0568021 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
177
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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