4-Benzyloxycarbonylphenylboronic acid

• CAS: 184000-11-1
• Catalog Number: ACM184000111
• Category: Boronic Acids
• Molecular Weight: 256.06
• Molecular Formula: C₁₄H₁₃BO₄
• Synonyms: P-BENZYLOXYCARBONYLPHENYLBORONIC ACID;4-(BENZYLOXYCARBONYL)BENZENEBORONIC ACID;(4-BENZYLOXYCARBONYLPHENYL)BORONIC ACID;BENZYL 4-BORONOBENZOATE
• IUPAC Name: [4-(phenylmethoxycarbonyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)(O)O
• InChI Key: UXSDJFGNRVVDFM-UHFFFAOYSA-N
• Boiling Point: 454.9ºC at 760mmHg
• Melting Point: 203-205ºC
• Flash Point: 228.9ºC
• Density: 1.26g/cm³
• Exact Mass: 256.09100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-Benzyloxycarbonylphenylboronic acid?

The molecular formula is C14H13BO4.

What is the molecular weight of 4-Benzyloxycarbonylphenylboronic acid?

The molecular weight is 256.06 g/mol.

What is the IUPAC name of 4-Benzyloxycarbonylphenylboronic acid?

The IUPAC name is (4-phenylmethoxycarbonylphenyl)boronic acid.

What is the InChI of 4-Benzyloxycarbonylphenylboronic acid?

The InChI is InChI=1S/C14H13BO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9,17-18H,10H2.

What is the InChIKey of 4-Benzyloxycarbonylphenylboronic acid?

The InChIKey is UXSDJFGNRVVDFM-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Benzyloxycarbonylphenylboronic acid?

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

What is the CAS number of 4-Benzyloxycarbonylphenylboronic acid?

The CAS number is 184000-11-1.

What is the EC number of 4-Benzyloxycarbonylphenylboronic acid?

The EC number is 681-565-6.

What is the DSSTox Substance ID of 4-Benzyloxycarbonylphenylboronic acid?

The DSSTox Substance ID is DTXSID50378307.

Is 4-Benzyloxycarbonylphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.