3-fluoro-5-(diethylcarbamoyl)phenylboronic acid

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Product Information

Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.05
Description
3-fluoro-5-(diethylcarbamoyl)phenylboronic acid is a highly efficient and differentiated inhibitor that is used in the biomedical field for drug development of various diseases.
Synonyms
3-Fluoro-5-(diethylcarbamoyl)phenylboronic acid; (3-(Diethylcarbamoyl)-5-fluorophenyl)boronic acid; [3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid; 3-(diethylcarbamoyl)-5-fluorophenylboronic acid; (3-(Diethylcarbamoyl)-5-fluorophenyl)boronicacid; 3-Fluoro-5-(diethyl carbamoyl)phenylboronic acid; A853912; 3-fluoro-5-(diethylcarbamoyl)phenylboronic acid
IUPAC Name
[3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)F)C(=O)N(CC)CC)(O)O
InChI
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-9(12(16)17)7-10(13)6-8/h5-7,16-17H,3-4H2,1-2H3
InChI Key
PWFQDNPXVAYCOK-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
239.1129017 g/mol
Monoisotopic Mass
239.1129017 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
261
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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