3-(dimethylcarbamoyl)-5-fluorobenzeneboronic acid

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Product Information

Molecular Formula:
C9H11BFNO3
Molecular Weight:
211.00
Description
3-(Dimethylcarbamoyl)-5-fluorobenzeneboronic acid facilitates drug development focused on malignancies and other diseases, demonstrating its versatility as an indispensable intermediate in drug combination processes.
Synonyms
5-(Dimethylcarbamoyl)-3-fluorophenylboronic acid; (3-(Dimethylcarbamoyl)-5-fluorophenyl)boronic acid; [3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid; (3-(Dimethylcarbamoyl)-5-fluorophenyl)boronicacid; 3-(Dimethylcarbamoyl)-5-fluorobenzeneboronic acid; 5-Dimethylcarbamoyl-3-fluorobenzeneboronic acid; [3-(dimethylcarbamoyl)-5-fluoro-phenyl]boronic acid; 3-(dimethylcarbamoyl)-5-fluorobenzeneboronic acid
IUPAC Name
[3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)F)C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-7(10(14)15)5-8(11)4-6/h3-5,14-15H,1-2H3
InChI Key
PSLVFPXQNCQCCY-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
211.0816015 g/mol
Monoisotopic Mass
211.0816015 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
237
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

Patents

Publication Number Title Priority Date
EP-3655406-A1 Substituted pyrrolopyridine-derivatives 2017-07-18
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES 2017-07-18
WO-2011127933-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
EP-2029570-B1 Fused thiophene derivatives as kinase inhibitors 2006-06-06
ES-2527751-T3 Fused thiophene derivatives as kinase inhibitors 2006-06-06
US-2010305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors 2006-06-06
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors 2006-06-06
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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