3,5-dichloro-4-methoxybenzeneboronic acid

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Product Information

Molecular Formula:
C7H7BCl2O3
Molecular Weight:
220.85
Description
3,5-dichloro-4-methoxybenzeneboronic acid is a vital compound utilized in the biomedical industry. With its unique chemical structure, it is extensively employed in the synthesis and development of various pharmaceutical drugs. This product plays an important role in drug discovery for specific diseases such as cancer and autoimmune diseases.
Synonyms
(3,5-dichloro-4-methoxyphenyl)boronic acid; 3,5-Dichloro-4-methoxybenzeneboronic acid; (3,5-dichloro-4-methoxyphenyl)boronicacid; 3,5-dichloro-4-methoxybenzeneboronic acid
IUPAC Name
(3,5-dichloro-4-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C(=C1)Cl)OC)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key
JHCLSOGJYUVJNQ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
219.9865296 g/mol
Monoisotopic Mass
219.9865296 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
158
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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