4-(2H-Tetrazol-5-yl)-phenylboronic acid

• CAS: 179942-55-3
• Catalog Number: ACM179942553
• Category: Other Products; Boronic Acids
• Molecular Weight: 189.9679
• Molecular Formula: C7H7BN4O2
• IUPAC Name: [4-(2H-tetrazol-5-yl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C2=NNN=N2)(O)O
• InChI: InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
• InChI Key: DXUPJOQUAAVAGV-UHFFFAOYSA-N
• Complexity: 187
• Covalently-Bonded Unit Count: 1
• Exact Mass: 190.066206g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 14
• MDL Number: MFCD06739099
• Monoisotopic Mass: 190.066206g/mol
• Rotatable Bond Count: 2
• Size: 250mg,500mg,1g,5g,25g

Synthetic Use

Downstream Synthesis Route 1

• 3934-20-1
• 179942-55-3

• 1026029-40-2

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 2404 - 2408

Downstream Synthesis Route 2

• 179942-55-3
• 1168720-53-3

• 1168723-11-2

Reference: [1]Patent: WO2009/79767,2009,A1 .Location in patent: Page/Page column 208-209

* For details of the synthesis route, please refer to the original source to ensure accuracy.