4,5-Difluoro-2-isopropoxyphenylboronic acid

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Product Information

Molecular Formula:
C9H11BF2O3
Molecular Weight:
216.0
Description
By virtue of its boronic acid moiety, 4,5-Difluoro-2-isopropoxyphenylboronic acid imparts versatility, enabling its application in the creation of diverse drug candidates and intermediates.
Synonyms
(4,5-difluoro-2-propan-2-yloxyphenyl)boronicacid; 4,5-Difluoro-2-isopropoxyphenylboronicacid; 1072951-61-1; (4,5-Difluoro-2-isopropoxyphenyl)boronicacid; ACMC-2098t8; 680702_ALDRICH
IUPAC Name
(4,5-difluoro-2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1OC(C)C)F)F)(O)O
InChI
InChI=1S/C9H11BF2O3/c1-5(2)15-9-4-8(12)7(11)3-6(9)10(13)14/h3-5,13-14H,1-2H3
InChI Key
RTEYYHDTNPHABZ-UHFFFAOYSA-N
Melting Point
75-79 °C
Purity
96%

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
216.0769307 g/mol
Monoisotopic Mass
216.0769307 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
204
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
US-2012149693-A1 Therapeutic compounds 2009-05-05
US-2015315127-A1 Therapeutic compounds 2009-05-05
US-9024071-B2 Therapeutic compounds 2009-05-05
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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