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Structure

5-Chloro-2-fluorophenylboronic acid

CAS
352535-83-2
Catalog Number
ACM352535832
Category
Boronic Acids
Molecular Weight
174.37g/mol
Molecular Formula
C6H5BClFO2

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Specification

Synonyms
AKOS BRN-0727;5-CHLORO-2-FLUOROBENZENEBORONIC ACID;5-CHLORO-2-FLUOROPHENYLBORONIC ACID;5-Chloro-2-fluorobenzeneboronic acid 97%;5-Chloro-2-fluorobenzeneboronicacid97%;5-Chloro-2-fluorophenylboronic Acid (contains varying aMounts of Anhydride);5-Chloro-2-f
IUPAC Name
(5-chloro-2-fluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)Cl)F)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChI Key
GGTUVWGMCFXUAS-UHFFFAOYSA-N
Complexity
136
Covalently-Bonded Unit Count
1
Exact Mass
174.005515g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
11
Monoisotopic Mass
174.005515g/mol
Rotatable Bond Count
1
What is the molecular formula of 5-Chloro-2-fluorophenylboronic acid?

The molecular formula is C6H5BClFO2.

What is the molecular weight of 5-Chloro-2-fluorophenylboronic acid?

The molecular weight is 174.37 g/mol.

What is the IUPAC name of 5-Chloro-2-fluorophenylboronic acid?

The IUPAC name is (5-chloro-2-fluorophenyl)boronic acid.

What is the InChI of 5-Chloro-2-fluorophenylboronic acid?

The InChI is InChI=1S/C6H5BClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H.

What is the InChIKey of 5-Chloro-2-fluorophenylboronic acid?

The InChIKey is GGTUVWGMCFXUAS-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Chloro-2-fluorophenylboronic acid?

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

What is the CAS number of 5-Chloro-2-fluorophenylboronic acid?

The CAS number is 352535-83-2.

What is the EC number of 5-Chloro-2-fluorophenylboronic acid?

The EC number is 675-613-5.

Is 5-Chloro-2-fluorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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