5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID

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Product Information

Molecular Formula:
C9H12BClO3
Molecular Weight:
214.45
Description
5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID is a pivotal compound in the field of biomedicine. Functioning as a pivotal stepping stone in the intricate synthesis of pharmaceutical agents targeting afflictions like cancer, diabetes, and cardiovascular disorders, this compound's allure lies in its idiosyncratic attributes. Exerting a momentous influence on the advancement of pioneering therapies and the enhancement of patient well-being, it emerges as an indispensable catalyst in propelling the frontiers of biomedical exploration.
Synonyms
(5-chloro-2-propan-2-yloxyphenyl)boronic acid; 5-CHLORO-2-ISOPROPOXYPHENYLBORONICACID; (5-Chloro-2-isopropoxyphenyl)boronicacid; {5-Chloro-2-[(propan-2-yl)oxy]phenyl}boronic acid; [5-CHLORO-2-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID
IUPAC Name
(5-chloro-2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)Cl)OC(C)C)(O)O
InChI
InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3
InChI Key
FGRYIHCKXSSLGB-UHFFFAOYSA-N
Melting Point
98-103 °C (lit.)
Purity
95%

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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