3-Chlorophenylboronic acid

• CAS: 63503-60-6
• Catalog Number: ACM63503606
• Category: Boronic Acids
• Molecular Weight: 156.37
• Molecular Formula: C6H6BClO2
• Synonyms: B-(3-chlorophenyl)-boronic acid
• IUPAC Name: (3-chlorophenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)Cl)(O)O
• InChI: InChI=1S/C6H6BClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
• InChI Key: SDEAGACSNFSZCU-UHFFFAOYSA-N
• Boiling Point: 311.4±44.0 °C
• Melting Point: 185-189 °C (lit.)
• Density: 1.32±0.1 g/ml
• Complexity: 110
• Covalently-Bonded Unit Count: 1
• Exact Mass: 156.014937g/mol
• Formal Charge: 0
• Hazard Statements: Xn,Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 156.014937g/mol
• Rotatable Bond Count: 1
• Safety Description: 36-37/39-26
• Supplemental Hazard Statements: H315-H319-H302-H312-H332-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Chlorophenylboronic acid?

The molecular formula of 3-Chlorophenylboronic acid is C6H6BClO2.

What is the molecular weight of 3-Chlorophenylboronic acid?

The molecular weight of 3-Chlorophenylboronic acid is 156.38 g/mol.

What is the IUPAC name of 3-Chlorophenylboronic acid?

The IUPAC name of 3-Chlorophenylboronic acid is (3-chlorophenyl)boronic acid.

What is the InChI of 3-Chlorophenylboronic acid?

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

What is the InChIKey of 3-Chlorophenylboronic acid?

The InChIKey of 3-Chlorophenylboronic acid is SDEAGACSNFSZCU-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chlorophenylboronic acid?

The canonical SMILES of 3-Chlorophenylboronic acid is B(C1=CC(=CC=C1)Cl)(O)O.

What is the CAS number of 3-Chlorophenylboronic acid?

The CAS number of 3-Chlorophenylboronic acid is 63503-60-6.

What is the European Community (EC) number of 3-Chlorophenylboronic acid?

The European Community (EC) number of 3-Chlorophenylboronic acid is 628-786-6.

What is the ChEMBL ID of 3-Chlorophenylboronic acid?

The ChEMBL ID of 3-Chlorophenylboronic acid is CHEMBL164616.

Is 3-Chlorophenylboronic acid a canonicalized compound?

Yes, 3-Chlorophenylboronic acid is a canonicalized compound.