4-Fluorobenzeneboronic acid

• CAS: 1765-93-1
• Catalog Number: ACM1765931
• Category: Other Products
• Molecular Weight: 139.92g/mol
• Molecular Formula: C6H6BFO2;C6H6BFO2
• Synonyms: AKOS 91317;AKOS BRN-0012;4-FLUOROPHENYLBORIC ACID;4-FLUOROPHENYLBORNIC ACID;4-FLUOROPHENYLBORONIC ACID;4-FLUOROBENZENEBORONIC ACID;P-FLUOROPHENYLBORONIC ACID;RARECHEM AH PB 0216
• IUPAC Name: (4-fluorophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)F)(O)O
• InChI: InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
• InChI Key: LBUNNMJLXWQQBY-UHFFFAOYSA-N
• Complexity: 102
• Covalently-Bonded Unit Count: 1
• 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
• NSC Number: 142683
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Fluorobenzeneboronic acid?

The molecular formula of 4-Fluorobenzeneboronic acid is C6H6BFO2.

When was 4-Fluorobenzeneboronic acid created?

4-Fluorobenzeneboronic acid was created on 2005-03-26.

What is the molecular weight of 4-Fluorobenzeneboronic acid?

The molecular weight of 4-Fluorobenzeneboronic acid is 139.92 g/mol.

What is the IUPAC name of 4-Fluorobenzeneboronic acid?

The IUPAC name of 4-Fluorobenzeneboronic acid is (4-fluorophenyl)boronic acid.

What is the InChIKey of 4-Fluorobenzeneboronic acid?

The InChIKey of 4-Fluorobenzeneboronic acid is LBUNNMJLXWQQBY-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Fluorobenzeneboronic acid?

There are 2 hydrogen bond donor counts in 4-Fluorobenzeneboronic acid.

How many hydrogen bond acceptor counts are there in 4-Fluorobenzeneboronic acid?

There are 3 hydrogen bond acceptor counts in 4-Fluorobenzeneboronic acid.

What is the topological polar surface area of 4-Fluorobenzeneboronic acid?

The topological polar surface area of 4-Fluorobenzeneboronic acid is 40.5 Ų.

How many covalently-bonded unit counts are there in 4-Fluorobenzeneboronic acid?

There is 1 covalently-bonded unit count in 4-Fluorobenzeneboronic acid.

Is 4-Fluorobenzeneboronic acid canonicalized?

Yes, 4-Fluorobenzeneboronic acid is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 13195-50-1
• 1765-93-1

• 190966-91-7

Reference: [1]Synlett,2008,p. 286 - 288

Downstream Synthesis Route 2

• 1765-93-1

• 38557-72-1
• 1092372-31-0

Reference: [1] Patent: US2008/305361, 2008, A1,

Downstream Synthesis Route 3

• 1765-93-1

• 70-34-8
• 350-46-9

Reference: [1] Synlett, 2000, # 10, p. 1485 - 1487

Downstream Synthesis Route 4

• 6940-76-7
• 1765-93-1
• 13939-06-5

• 3874-54-2

Reference: [1] Chemical Communications, 2017, vol. 53, # 51, p. 6895 - 6898

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