3-BROMO-2-BUTOXYPHENYLBORONIC ACID

Product Information

Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.93136
Description
3-Bromo-2-butoxyphenylboronic acid unveils itself as a paramount constituent within the realm of biomedicine. By acting as a fundamental precursor for the formation of boronic esters, renowned as efficacious medicinal entities combating a diverse range of maladies, be it malignancies or metabolic disorders like diabetes, this compound fervently assumes therapeutic significance.
Synonyms
Boronic acid, (3-bromo-2-butoxyphenyl)- (9CI)
IUPAC Name
(3-bromo-2-butoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C(=CC=C1)Br)OCCCC)(O)O
InChI
InChI=1S/C10H14BBrO3/c1-2-3-7-15-10-8(11(13)14)5-4-6-9(10)12/h4-6,13-14H,2-3,7H2,1H3
InChI Key
HKYOOGBELZHMIS-UHFFFAOYSA-N
Melting Point
67-71 °C (lit.)
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
272.02194 g/mol
Monoisotopic Mass
272.02194 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
180
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)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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