2-Fluoro-6-methoxyphenylboronic acid

• CAS: 78495-63-3
• Catalog Number: ACM78495633
• Category: Boronic Acids
• Molecular Weight: 169.95
• Molecular Formula: C7H8BFO3
• Synonyms: 2-Borono-3-fluoroanisole
• IUPAC Name: (2-fluoro-6-methoxyphenyl)boronic acid
• Canonical SMILES: B(C1=C(C=CC=C1F)OC)(O)O
• InChI: InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
• InChI Key: XOVMDVZAWWQSDC-UHFFFAOYSA-N
• Boiling Point: 303.1±52.0 °C
• Melting Point: 120-125 °C (lit.)
• Density: 1.26±0.1 g/ml
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• Exact Mass: 170.055052g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 170.055052g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Fluoro-6-methoxyphenylboronic acid?

The molecular formula is C7H8BFO3.

What is the molecular weight of 2-Fluoro-6-methoxyphenylboronic acid?

The molecular weight is 169.95 g/mol.

What is the IUPAC name of 2-Fluoro-6-methoxyphenylboronic acid?

The IUPAC name is (2-fluoro-6-methoxyphenyl)boronic acid.

What is the InChI of 2-Fluoro-6-methoxyphenylboronic acid?

The InChI is InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3.

What is the InChIKey of 2-Fluoro-6-methoxyphenylboronic acid?

The InChIKey is XOVMDVZAWWQSDC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoro-6-methoxyphenylboronic acid?

The canonical SMILES is B(C1=C(C=CC=C1F)OC)(O)O.

What is the CAS number of 2-Fluoro-6-methoxyphenylboronic acid?

The CAS number is 78495-63-3.

How many hydrogen bond donor counts does 2-Fluoro-6-methoxyphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Fluoro-6-methoxyphenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Fluoro-6-methoxyphenylboronic acid?

The topological polar surface area is 49.7Ų.