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Structure

4-Carboxy-3-fluorophenylboronic acid

CAS
120153-08-4
Catalog Number
ACM120153084
Category
Boronic Acids
Molecular Weight
183.93
Molecular Formula
C7H6BFO4

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Specification

Synonyms
4-Borono-2-fluorobenzoic acid
IUPAC Name
4-borono-2-fluorobenzoic acid
Canonical SMILES
B(C1=CC(=C(C=C1)C(=O)O)F)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key
CZDWJVSOQOMYGC-UHFFFAOYSA-N
Boiling Point
399.5±52.0 °C
Melting Point
236-240 °C
Density
1.49±0.1 g/ml
What is the molecular formula of 4-Carboxy-3-fluorophenylboronic acid?

The molecular formula is C7H6BFO4.

What is the molecular weight of 4-Carboxy-3-fluorophenylboronic acid?

The molecular weight is 183.93 g/mol.

What is the IUPAC name of 4-Carboxy-3-fluorophenylboronic acid?

The IUPAC name is 4-borono-2-fluorobenzoic acid.

What is the InChI of 4-Carboxy-3-fluorophenylboronic acid?

The InChI is InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11).

What is the InChIKey of 4-Carboxy-3-fluorophenylboronic acid?

The InChIKey is CZDWJVSOQOMYGC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Carboxy-3-fluorophenylboronic acid?

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

What is the CAS number of 4-Carboxy-3-fluorophenylboronic acid?

The CAS number is 120153-08-4.

What is the European Community (EC) Number of 4-Carboxy-3-fluorophenylboronic acid?

The European Community (EC) Number is 675-639-7.

What is the DSSTox Substance ID of 4-Carboxy-3-fluorophenylboronic acid?

The DSSTox Substance ID is DTXSID90376807.

Is 4-Carboxy-3-fluorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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