4-(trifluoromethyl)pyridine-3-boronic acid hydrate

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Product Information

Molecular Formula:
C6H7BF3NO3
Molecular Weight:
208.93
Description
4-(trifluoromethyl)pyridine-3-boronic acid hydrate is an essential compound in the biomedical industry. This product is utilized as a versatile building block in the synthesis of pharmaceutical drugs targeting various diseases.
Synonyms
(4-(Trifluoromethyl)pyridin-3-yl)boronic acid hydrate; (4-(Trifluoromethyl)pyridin-3-yl)boronicacidhydrate; [4-(trifluoromethyl)pyridin-3-yl]boronic acid; hydrate; [4-(Trifluoromethyl)pyridin-3-yl]boronic acid--water (1/1); 4-(trifluoromethyl)pyridine-3-boronic acid hydrate
IUPAC Name
[4-(trifluoromethyl)pyridin-3-yl]boronic acidhydrate
Canonical SMILES
B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O
InChI
InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H1H2
InChI Key
CKGIYHYJVBVRFH-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
209.0471077 g/mol
Monoisotopic Mass
209.0471077 g/mol
Topological Polar Surface Area
54.4Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
176
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
2
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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