2-Chlorophenylboronic acid

• CAS: 3900-89-8
• Catalog Number: ACM3900898
• Category: Boronic Acids
• Molecular Weight: 156.37
• Molecular Formula: C6H6BClO2
• Synonyms: 2-Halogenated phenylboronic acid
• IUPAC Name: (2-chlorophenyl)boronic acid
• SMILES: B(C1=CC=CC=C1Cl)(O)O
• InChI: InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
• InChI Key: RRCMGJCFMJBHQC-UHFFFAOYSA-N
• Boiling Point: 306.3±44.0 °C
• Melting Point: 92-102 °C (lit.)
• Density: 1.32±0.1 g/ml
• Complexity: 110
• Covalently-Bonded Unit Count: 1
• EC Number: 670-392-1
• Exact Mass: 156.014937g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 156.014937g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-Chlorophenylboronic acid?

The molecular formula of 2-Chlorophenylboronic acid is C6H6BClO2.

What is the molecular weight of 2-Chlorophenylboronic acid?

The molecular weight of 2-Chlorophenylboronic acid is 156.38 g/mol.

What is the IUPAC name of 2-Chlorophenylboronic acid?

The IUPAC name of 2-Chlorophenylboronic acid is (2-chlorophenyl)boronic acid.

What is the InChI of 2-Chlorophenylboronic acid?

The InChI of 2-Chlorophenylboronic acid is InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H.

What is the InChIKey of 2-Chlorophenylboronic acid?

The InChIKey of 2-Chlorophenylboronic acid is RRCMGJCFMJBHQC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chlorophenylboronic acid?

The canonical SMILES of 2-Chlorophenylboronic acid is B(C1=CC=CC=C1Cl)(O)O.

What is the CAS number of 2-Chlorophenylboronic acid?

The CAS number of 2-Chlorophenylboronic acid is 3900-89-8.

What is the European Community (EC) number of 2-Chlorophenylboronic acid?

The European Community (EC) number of 2-Chlorophenylboronic acid is 670-392-1.

What is the DSSTox Substance ID of 2-Chlorophenylboronic acid?

The DSSTox Substance ID of 2-Chlorophenylboronic acid is DTXSID80370213.

Is 2-Chlorophenylboronic acid a canonicalized compound?

Yes, 2-Chlorophenylboronic acid is a canonicalized compound according to PubChem.