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Structure

5-Fluoro-2-hydroxybenzeneboronic acid

CAS
259209-20-6
Catalog Number
ACM259209206
Category
Boronic Acids
Molecular Weight
155.92
Molecular Formula
C6H6BFO3

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Specification

Synonyms
4-FLUORO-2-HYDROXYPHENYLBORONIC ACID;4-FLUORO-2-HYDROXYBENZENEBORONIC ACID;5-FLUORO-2-HYDROXYBENZENEBORONIC ACID;5-FLUORO-2-HYDROXYPHENYLBORONIC ACID;Boronic acid, (5-fluoro-2-hydroxyphenyl)- (9CI);5-Fluoro-2-hydroxybenzeneboronic acid 97%;5-Fluoro-2-hydr
IUPAC Name
(5-fluoro-2-hydroxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)F)O)(O)O
InChI Key
TWDQSJDFXUMAOI-UHFFFAOYSA-N
Boiling Point
323.2ºC at 760 mmHg
Melting Point
160-166ºC
Flash Point
149.3ºC
Density
1.42g/cm³
Exact Mass
156.03900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
3
Safety Description
26-36/37/39
What is the molecular formula of 5-Fluoro-2-hydroxybenzeneboronic acid?

The molecular formula is C6H6BFO3.

What is the molecular weight of 5-Fluoro-2-hydroxybenzeneboronic acid?

The molecular weight is 155.92 g/mol.

What is the IUPAC name of 5-Fluoro-2-hydroxybenzeneboronic acid?

The IUPAC name is (5-fluoro-2-hydroxyphenyl)boronic acid.

What is the InChI of 5-Fluoro-2-hydroxybenzeneboronic acid?

The InChI is InChI=1S/C6H6BFO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H.

What is the InChIKey of 5-Fluoro-2-hydroxybenzeneboronic acid?

The InChIKey is TWDQSJDFXUMAOI-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Fluoro-2-hydroxybenzeneboronic acid?

The canonical SMILES is B(C1=C(C=CC(=C1)F)O)(O)O.

What is the CAS number of 5-Fluoro-2-hydroxybenzeneboronic acid?

The CAS number is 259209-20-6.

What is the EC number of 5-Fluoro-2-hydroxybenzeneboronic acid?

The EC number is 675-643-9.

Is 5-Fluoro-2-hydroxybenzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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