3-Fluorobenzylboronic acid

• CAS: 768-35-4
• Catalog Number: ACM768354
• Category: Boronic Acids
• Molecular Weight: 139.92g/mol
• Molecular Formula: C6H6BFO2
• Synonyms: AKOS BRN-0105;3-FLUOROBENZENEBORONIC ACID;3-FLUORO PHENYLBORIC ACID;3-FLUOROPHENYLBORNIC ACID;3-FLUOROPHENYLBORONIC ACID;RARECHEM AH PB 0217;M-FLUOROPHENYLBORONIC ACID;3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID
• IUPAC Name: (3-fluorophenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)F)(O)O
• InChI: InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
• InChI Key: KNXQDJCZSVHEIW-UHFFFAOYSA-N
• Complexity: 110
• Covalently-Bonded Unit Count: 1
• EC Number: 476-720-8;616-400-9
• Exact Mass: 140.044488g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 140.044488g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the PubChem CID of 3-Fluorobenzylboronic acid?

The PubChem CID of 3-Fluorobenzylboronic acid is 2733986.

What is the molecular formula of 3-Fluorobenzylboronic acid?

The molecular formula of 3-Fluorobenzylboronic acid is C6H6BFO2.

What is the molecular weight of 3-Fluorobenzylboronic acid?

The molecular weight of 3-Fluorobenzylboronic acid is 139.92 g/mol.

What is the IUPAC name of 3-Fluorobenzylboronic acid?

The IUPAC name of 3-Fluorobenzylboronic acid is (3-fluorophenyl)boronic acid.

What is the InChI of 3-Fluorobenzylboronic acid?

The InChI of 3-Fluorobenzylboronic acid is InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H.

What is the InChIKey of 3-Fluorobenzylboronic acid?

The InChIKey of 3-Fluorobenzylboronic acid is KNXQDJCZSVHEIW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluorobenzylboronic acid?

The canonical SMILES of 3-Fluorobenzylboronic acid is B(C1=CC(=CC=C1)F)(O)O.

What is the CAS number of 3-Fluorobenzylboronic acid?

The CAS number of 3-Fluorobenzylboronic acid is 768-35-4.

What is the European Community (EC) number of 3-Fluorobenzylboronic acid?

The European Community (EC) number of 3-Fluorobenzylboronic acid is 476-720-8.

What is the topological polar surface area of 3-Fluorobenzylboronic acid?

The topological polar surface area of 3-Fluorobenzylboronic acid is 40.5Ų.

Synthetic Use

Upstream Synthesis Route 1

• 1073-06-9

• 768-35-4

Reference: [1] Organic Letters, 2011, vol. 13, # 17, p. 4479 - 4481

Downstream Synthesis Route 1

• 768-35-4
• 360575-29-7

• 861218-14-6

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 2998 - 3001

Downstream Synthesis Route 2

• 768-35-4

• 701-27-9

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 29, p. 10638 - 10641

Downstream Synthesis Route 3

• 768-35-4

• 40503-87-5

Reference: [1] Patent: WO2017/135306, 2017, A1,

* For details of the synthesis route, please refer to the original source to ensure accuracy.