3-Chloropropenyl-1-boronic acid pinacol ester

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Product Information

Molecular Formula:
C9H16BClO2
Description
3-Chloropropenyl-1-boronic acid pinacol ester is a prominent compound extensively utilized within the burgeoning biomedical sector and depicts immense promise as a pharmaceutical intermediary engendering novel therapeutic agents. Profoundly intricate in its implications, this prodigious entity assumes pivotal significance in combating a myriad of ailments, notably encompassing malignancies, through its selective protein interaction targeting capabilities.
Synonyms
3-Chloropropenyl-1-boronic acid pinacol ester
IUPAC Name
2-[(E)-3-chloroprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=CCCl
InChI
InChI=1S/C9H16BClO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H,7H2,1-4H3/b6-5+
InChI Key
HLBDNUSUVDDICF-AATRIKPKSA-N
Boiling Point
57-62 °C/0.3-0.4 mmHg
Flash Point
212.0 °F - closed cup
Purity
95%
Density
1.028 g/mL at 25 °C
Refractive Index
n20/D 1.4603

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
202.0931876 g/mol
Monoisotopic Mass
202.0931876 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
198
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
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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