[5-Fluoro-2-(propyloxy)phenyl]boronic acid

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Product Information

Molecular Formula:
C9H12BFO3
Molecular Weight:
198.00
Description
5-Fluoro-2-(propyloxy)phenyl]boronic acid is a pharmaceutical intermediate used in the synthesis of various drugs. It is part of the structure of several cancer-fighting compounds and is being studied for diseases such as breast cancer and lymphoma.
Synonyms
(5-Fluoro-2-propoxyphenyl)boronic acid; (5-Fluoro-2-propoxyphenyl)boronicacid; 5-fluoro-2-propoxyphenyl boronic acid
IUPAC Name
(5-fluoro-2-propoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)F)OCCC)(O)O
InChI
InChI=1S/C9H12BFO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
InChI Key
TVQRNJJJJCUOLL-UHFFFAOYSA-N
Melting Point
86-91 °C (lit.)
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
198.0863526 g/mol
Monoisotopic Mass
198.0863526 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
168
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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