5-Chloro-2-methoxyphenylboronic acid

• CAS: 89694-48-4
• Catalog Number: ACM89694484
• Category: Boronic Acids
• Molecular Weight: 186.4
• Molecular Formula: C7H8BClO3
• Synonyms: 2-Methoxy-5-chlorophenylboronic acid
• IUPAC Name: (5-chloro-2-methoxyphenyl)boronic acid
• SMILES: B(C1=C(C=CC(=C1)Cl)OC)(O)O
• InChI: InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
• InChI Key: FMBVAOHFMSQDGT-UHFFFAOYSA-N
• Boiling Point: 360.2±52.0 °C
• Melting Point: 134-141 °C (lit.)
• Density: 1.32±0.1 g/ml
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• EC Number: 923-256-3;618-292-9
• Exact Mass: 186.025502g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 186.025502g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 5-Chloro-2-methoxyphenylboronic acid?

The molecular formula of 5-Chloro-2-methoxyphenylboronic acid is C7H8BClO3.

What is the molecular weight of 5-Chloro-2-methoxyphenylboronic acid?

The molecular weight of 5-Chloro-2-methoxyphenylboronic acid is 186.40 g/mol.

What is the IUPAC name of 5-Chloro-2-methoxyphenylboronic acid?

The IUPAC name of 5-Chloro-2-methoxyphenylboronic acid is (5-chloro-2-methoxyphenyl)boronic acid.

What is the InChI of 5-Chloro-2-methoxyphenylboronic acid?

The InChI of 5-Chloro-2-methoxyphenylboronic acid is InChI=1S/C7H8BClO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3.

What is the InChIKey of 5-Chloro-2-methoxyphenylboronic acid?

The InChIKey of 5-Chloro-2-methoxyphenylboronic acid is FMBVAOHFMSQDGT-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Chloro-2-methoxyphenylboronic acid?

The canonical SMILES of 5-Chloro-2-methoxyphenylboronic acid is B(C1=C(C=CC(=C1)Cl)OC)(O)O.

What is the CAS number of 5-Chloro-2-methoxyphenylboronic acid?

The CAS number of 5-Chloro-2-methoxyphenylboronic acid is 89694-48-4.

What is the EC number of 5-Chloro-2-methoxyphenylboronic acid?

The EC number of 5-Chloro-2-methoxyphenylboronic acid is 923-256-3.

What is the DSSTox Substance ID of 5-Chloro-2-methoxyphenylboronic acid?

The DSSTox Substance ID of 5-Chloro-2-methoxyphenylboronic acid is DTXSID90370921.

Is 5-Chloro-2-methoxyphenylboronic acid a canonicalized compound?

Yes, 5-Chloro-2-methoxyphenylboronic acid is a canonicalized compound according to PubChem.