2,4-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)

• CAS: 153254-09-2
• Catalog Number: ACM153254092
• Category: Boronic Acids
• Molecular Weight: 257.926g/mol
• Molecular Formula: C8H5BF6O2
• Synonyms: BBL103050; CTK0H4593; QC-4547; AB09366; 254B092; DTXSID20382198; AK-33431; B-3039; 2,4-Bis(trifluoromethyl)benzeneboronic Acid; 2,4-bistrifluoromethylbenzeneboronic acid
• IUPAC Name: [2,4-bis(trifluoromethyl)phenyl]boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(O)O
• InChI: InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
• InChI Key: WLYPBMBWKYALCG-UHFFFAOYSA-N
• Complexity: 264
• Covalently-Bonded Unit Count: 1
• EC Number: 604-892-8
• 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 IUPAC name of the compound?

The IUPAC name of the compound is [2,4-bis(trifluoromethyl)phenyl]boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H5BF6O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 257.93 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 153254-09-2.

How many hydrogen bond donor atoms are there in the compound?

There are 2 hydrogen bond donor atoms in the compound.

How many hydrogen bond acceptor atoms are there in the compound?

There are 8 hydrogen bond acceptor atoms in the compound.

How many rotatable bonds are there in the compound?

There is 1 rotatable bond in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 40.5Ų.

How many heavy atoms are there in the compound?

There are 17 heavy atoms in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.