4-(Benzyloxy)-3-chlorophenylboronic acid

• CAS: 845551-44-2
• Catalog Number: ACM845551442
• Category: Boronic Acids
• Molecular Weight: 262.5
• Molecular Formula: C₁₃H₁₂BClO₃
• Synonyms: AKOS BRN-0594;(3-CHLORO-4-BENZYLOXYPHENYL)BORONIC ACID;4-BENZYLOXY-3-CHLOROPHENYLBORONIC ACID;4-Benzyloxy-3-chlorophenylboro;B-[3-chloro-4-(phenylmethoxy)phenyl]-Boronic acid;4-Benzyloxy-3-chlorobenzeneboronic acid, 98%
• IUPAC Name: (3-chloro-4-phenylmethoxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)(O)O
• InChI Key: AYSMMNDQVZAXQY-UHFFFAOYSA-N
• Boiling Point: 450.2ºC at 760 mmHg
• Melting Point: 188-193ºC(lit.)
• Flash Point: 226.1ºC
• Density: 1.3 g/cm³
• Exact Mass: 262.05700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The molecular formula is C13H12BClO3.

What is the molecular weight of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The molecular weight is 262.50 g/mol.

What is the IUPAC name of 4-(Benzyloxy)-3-chlorophenylboronic acid?

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

What is the InChI of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The InChI is InChI=1S/C13H12BClO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2.

What is the InChIKey of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The InChIKey is AYSMMNDQVZAXQY-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)(O)O.

What is the CAS number of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The CAS number is 845551-44-2.

What is the DSSTox Substance ID of 4-(Benzyloxy)-3-chlorophenylboronic acid?

The DSSTox Substance ID is DTXSID30396089.

Is 4-(Benzyloxy)-3-chlorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.