3-Chloro-4-fluorophenylboronic acid

• CAS: 144432-85-9
• Catalog Number: ACM144432859
• Category: Boronic Acids
• Molecular Weight: 174.37g/mol
• Molecular Formula: C6H5BClFO2
• Synonyms: 3-CHLORO-4-FLUOROPHENYLBORONIC ACID;3-CHLORO-4-FLUOROBENZENEBORONIC ACID;4-FLUORO-3-CHLOROPHENYLBORONIC ACID;AKOS BRN-0032;RARECHEM AH PB 0129;3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride);3-Chloro-4-fluorophenylboronic acid,
• IUPAC Name: (3-chloro-4-fluorophenyl)boronic acid
• SMILES: B(C1=CC(=C(C=C1)F)Cl)(O)O
• InChI: InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
• InChI Key: WJDZZXIDQYKVDG-UHFFFAOYSA-N
• Complexity: 136
• Covalently-Bonded Unit Count: 1
• Exact Mass: 174.005515g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 174.005515g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3-Chloro-4-fluorophenylboronic acid?

The molecular formula is C6H5BClFO2.

What is the molecular weight of 3-Chloro-4-fluorophenylboronic acid?

The molecular weight is 174.37 g/mol.

What is the IUPAC name of 3-Chloro-4-fluorophenylboronic acid?

The IUPAC name is (3-chloro-4-fluorophenyl)boronic acid.

What is the InChI of 3-Chloro-4-flurophenylboronic acid?

The InChI is InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H.

What is the InChIKey of 3-Chloro-4-fluorophenylboronic acid?

The InChIKey is WJDZZXIDQYKVDG-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Chloro-4-fluorophenylboronic acid?

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

What is the CAS number of 3-Chloro-4-fluorophenylboronic acid?

The CAS number is 144432-85-9.

What is the European Community (EC) Number of 3-Chloro-4-fluorophenylboronic acid?

The European Community (EC) Number is 675-657-5.

What is the ChEMBL ID of 3-Chloro-4-fluorophenylboronic acid?

The ChEMBL ID is CHEMBL279024.

What is the topological polar surface area of 3-Chloro-4-fluorophenylboronic acid?

The topological polar surface area is 40.5Ų.