4-Bromo-2-fluorobenzeneboronic acid

• CAS: 216393-64-5
• Catalog Number: ACM216393645
• Category: Boronic Acids
• Molecular Weight: 218.82g/mol
• Molecular Formula: C6H5BBrFO2
• IUPAC Name: (4-bromo-2-fluorophenyl)boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1)Br)F)(O)O
• InChI: InChI=1S/C6H5BBrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
• InChI Key: PKZHIIVZRPUZSU-UHFFFAOYSA-N
• Complexity: 136
• Covalently-Bonded Unit Count: 1
• Exact Mass: 217.955g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 217.955g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Bromo-2-fluorobenzeneboronic acid?

The molecular formula of 4-Bromo-2-fluorobenzeneboronic acid is C6H5BBrFO2.

When was 4-Bromo-2-fluorobenzeneboronic acid created in PubChem?

4-Bromo-2-fluorobenzeneboronic acid was created in PubChem on July 19, 2005.

What is the IUPAC name of 4-Bromo-2-fluorobenzeneboronic acid?

The IUPAC name of 4-Bromo-2-fluorobenzeneboronic acid is (4-bromo-2-fluorophenyl)boronic acid.

What is the Canonical SMILES of 4-Bromo-2-fluorobenzeneboronic acid?

The Canonical SMILES of 4-Bromo-2-fluorobenzeneboronic acid is B(C1=C(C=C(C=C1)Br)F)(O)O.

What is the molecular weight of 4-Bromo-2-fluorobenzeneboronic acid?

The molecular weight of 4-Bromo-2-fluorobenzeneboronic acid is 218.82 g/mol.

How many hydrogen bond donor counts does 4-Bromo-2-fluorobenzeneboronic acid have?

4-Bromo-2-fluorobenzeneboronic acid has 2 hydrogen bond donor counts.

What is the exact mass of 4-Bromo-2-fluorobenzeneboronic acid?

The exact mass of 4-Bromo-2-fluorobenzeneboronic acid is 217.95500 g/mol.

How many rotatable bond counts does 4-Bromo-2-fluorobenzeneboronic acid have?

4-Bromo-2-fluorobenzeneboronic acid has 1 rotatable bond count.

Does 4-Bromo-2-fluorobenzeneboronic acid have any defined atom or bond stereocenters?

No, 4-Bromo-2-fluorobenzeneboronic acid does not have any defined atom or bond stereocenters.

Is the compound of 4-Bromo-2-fluorobenzeneboronic acid canonicalized?

Yes, the compound of 4-Bromo-2-fluorobenzeneboronic acid is canonicalized.