3-Chloro-4-ethoxyphenylboronic acid

• CAS: 279261-81-3
• Catalog Number: ACM279261813
• Category: Boronic Acids
• Molecular Weight: 200.43g/mol
• Molecular Formula: C8H10BClO3
• IUPAC Name: (3-chloro-4-ethoxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)OCC)Cl)(O)O
• InChI: InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
• InChI Key: QZMQZKMQXURQNC-UHFFFAOYSA-N
• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Exact Mass: 200.041152g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 200.041152g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of 3-Chloro-4-ethoxyphenylboronic acid?

The molecular formula is C8H10BClO3.

What is the molecular weight of 3-Chloro-4-ethoxyphenylboronic acid?

The molecular weight is 200.43 g/mol.

What is the IUPAC name of 3-Chloro-4-ethoxyphenylboronic acid?

The IUPAC name is (3-chloro-4-ethoxyphenyl)boronic acid.

What is the InChI of 3-Chloro-4-ethoxyphenylboronic acid?

The InChI is InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3.

What is the InChIKey of 3-Chloro-4-ethoxyphenylboronic acid?

The InChIKey is QZMQZKMQXURQNC-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4-ethoxyphenylboronic acid?

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

What is the CAS number of 3-Chloro-4-ethoxyphenylboronic acid?

The CAS number is 279261-81-3.

What is the European Community (EC) number of 3-Chloro-4-ethoxyphenylboronic acid?

The European Community (EC) number is 695-694-0.

What is the DSSTox Substance ID of 3-Chloro-4-ethoxyphenylboronic acid?

The DSSTox Substance ID is DTXSID00395448.

Is 3-Chloro-4-ethoxyphenylboronic acid considered the canonicalized compound?

Yes, it is considered the canonicalized compound.