3-Fluoro-4-formylphenylboronic acid

• CAS: 248270-25-9
• Catalog Number: ACM248270259
• Category: Boronic Acids
• Molecular Weight: 167.93g/mol
• Molecular Formula: C7H6BFO3
• Synonyms: 3-FLUORO-4-FORMYLBENZENEBORONIC ACID;3-FLUORO-4-FORMYLPHENYLBORONIC ACID;AKOS BRN-0100;4-Borono-3-fluorobenzaldehyde~3-Fluoro-4-formylphenylboronic acid;0-formylphenylboronic acid;4-Borono-3-fluorobenzaldehyde;3-Fluoro-4-Formylphenylboronic;3-Fluoro-4-for
• IUPAC Name: (3-fluoro-4-formylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)C=O)F)(O)O
• InChI: InChI=1S/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
• InChI Key: NZNRMUVHUVCIBR-UHFFFAOYSA-N
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Exact Mass: 168.039402g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 168.039402g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 3-Fluoro-4-formylphenylboronic acid?

The molecular formula is C7H6BFO3.

What is the molecular weight of 3-Fluoro-4-formylphenylboronic acid?

The molecular weight is 167.93 g/mol.

What is the IUPAC name of 3-Fluoro-4-formylphenylboronic acid?

The IUPAC name is (3-fluoro-4-formylphenyl)boronic acid.

What is the InChI of 3-Fluoro-4-formylphenylboronic acid?

The InChI is InChI=1S/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H.

What is the InChIKey of 3-Fluoro-4-formylphenylboronic acid?

The InChIKey is NZNRMUVHUVCIBR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-4-formylphenylboronic acid?

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

What is the CAS number of 3-Fluoro-4-formylphenylboronic acid?

The CAS number is 248270-25-9.

What is the European Community (EC) number of 3-Fluoro-4-formylphenylboronic acid?

The EC number is 626-303-3.

What is the hydrogen bond donor count of 3-Fluoro-4-formylphenylboronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 3-Fluoro-4-formylphenylboronic acid?

The hydrogen bond acceptor count is 4.