2-(Isobutoxycarbonyl)phenylboronic acid

Base Information

• Chemical Name: 2-(Isobutoxycarbonyl)phenylboronic acid
• CAS No.: 1256345-85-3
• Molecular Formula: C11H15BO4
• Molecular Weight: 222.0454
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90681625
• Wikidata: Q82605727
• Mol file: 1256345-85-3.mol

Synonyms:1256345-85-3;2-(ISOBUTOXYCARBONYL)PHENYLBORONIC ACID;(2-(Isobutoxycarbonyl)phenyl)boronic acid;[2-(2-methylpropoxycarbonyl)phenyl]boronic acid;{2-[(2-Methylpropoxy)carbonyl]phenyl}boronic acid;DTXSID90681625;MFCD16036104;AKOS015837511;(2-(Isobutoxycarbonyl)phenyl)boronicacid;BS-19743;CS-0173954

Chemical Property of 2-(Isobutoxycarbonyl)phenylboronic acid

Chemical Property:

• Boiling Point: 381.2±44.0 °C(Predicted)
• PKA: 8.14±0.53(Predicted)
• PSA: 66.76000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 0.17920
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.1063391
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99%min ^*data from raw suppliers

2-(Isobutoxycarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1C(=O)OCC(C)C)(O)O