(3,5-Bis(trifluoromethyl)phenyl)boronic acid

• CAS: 73852-19-4
• Catalog Number: ACM73852194
• Category: Other Products
• Molecular Weight: 257.926g/mol
• Molecular Formula: C8H5BF6O2
• Synonyms: CB-110; 3,5-Bis-trifluoromethylphenylboronic acid; (3,5-Bis(trifluoromethyl)phenyl)boronic acid; ST2414244; SCHEMBL126169; AKOS000285053; Boronic acid, [3,5-bis(trifluoromethyl)phenyl]-; 133412-EP2295406A1; ZINC169743211; 3,5-di(trifluoromethyl)-phenylboronic acid
• IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O
• InChI: InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H
• InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N
• Application: suzuki reaction
• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Exact Mass: 258.029g/mol
• H-Bond Acceptor: 8
• H-Bond Donor: 2
• Heavy Atom Count: 17
• Monoisotopic Mass: 258.029g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 40.5A^2

Custom Q&A

What is the molecular formula of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

The molecular formula is C8H5BF6O2.

What is the molecular weight of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

The molecular weight is 257.93 g/mol.

What are some synonyms for (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

Some synonyms include 73852-19-4 and 3,5-Bis(trifluoromethyl)benzeneboronic Acid.

When was (3,5-Bis(trifluoromethyl)phenyl)boronic acid created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC name of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

The IUPAC name is [3,5-bis(trifluoromethyl)phenyl]boronic acid.

What is the InChIKey of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

The InChIKey is BPTABBGLHGBJQR-UHFFFAOYSA-N.

What is the Canonical SMILES of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

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

How many hydrogen bond donor counts does (3,5-Bis(trifluoromethyl)phenyl)boronic acid have?

It has 2 hydrogen bond donor counts.

What is the heavy atom count of (3,5-Bis(trifluoromethyl)phenyl)boronic acid?

The heavy atom count is 17.

Is (3,5-Bis(trifluoromethyl)phenyl)boronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.