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

• Catalog Number: ACM179942553
• Product Name: 4-(2H-Tetrazol-5-yl)-phenylboronic acid
• CAS: 179942-55-3
• Category: Heterocyclic Organic Compound
• IUPAC Name: [4-(2H-tetrazol-5-yl)phenyl]boronic acid
• Molecular Weight: 189.9679
• Molecular Formula: C7H7BN4O2
• 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