2,3,6-Trifluorophenylboronic acid

• CAS: 247564-71-2
• Catalog Number: ACM247564712
• Category: Boronic Acids
• Molecular Weight: 175.9g/mol
• Molecular Formula: C6H4BF3O2
• Synonyms: RARECHEM AH PB 0123;RARECHEM AH PB 0119;2,3,6-Trifluorobenzeneboronic acid;2,3,6-Trifluorophenylboronic acid;2,3,6-Trifluorophenylboronic acid
• IUPAC Name: (2,3,6-trifluorophenyl)boronic acid
• Canonical SMILES: B(C1=C(C=CC(=C1F)F)F)(O)O
• InChI: InChI=1S/C6H4BF3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H
• InChI Key: IWPDDRPLEKURGG-UHFFFAOYSA-N
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Exact Mass: 176.025644g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 176.025644g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the IUPAC name of 2,3,6-Trifluorophenylboronic acid?

The IUPAC name of 2,3,6-Trifluorophenylboronic acid is (2,3,6-trifluorophenyl)boronic acid.

What is the InChI of 2,3,6-Trifluorophenylboronic acid?

The InChI of 2,3,6-Trifluorophenylboronic acid is InChI=1S/C6H4BF3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H.

What is the InChIKey of 2,3,6-Trifluorophenylboronic acid?

The InChIKey of 2,3,6-Trifluorophenylboronic acid is IWPDDRPLEKURGG-UHFFFAOYSA-N.

What is the molecular formula of 2,3,6-Trifluorophenylboronic acid?

The molecular formula of 2,3,6-Trifluorophenylboronic acid is C6H4BF3O2.

What is the molecular weight of 2,3,6-Trifluorophenylboronic acid?

The molecular weight of 2,3,6-Trifluorophenylboronic acid is 175.90 g/mol.

How many hydrogen bond donor counts does 2,3,6-Trifluorophenylboronic acid have?

2,3,6-Trifluorophenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,3,6-Trifluorophenylboronic acid have?

2,3,6-Trifluorophenylboronic acid has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does 2,3,6-Trifluorophenylboronic acid have?

2,3,6-Trifluorophenylboronic acid has 1 rotatable bond count.

What is the topological polar surface area of 2,3,6-Trifluorophenylboronic acid?

The topological polar surface area of 2,3,6-Trifluorophenylboronic acid is 40.5Ų.

Is 2,3,6-Trifluorophenylboronic acid canonicalized?

Yes, 2,3,6-Trifluorophenylboronic acid is canonicalized.