5-Bromo-2-tert-butyl-3-hydroxyisoindolin-1-one

Base Information

• Chemical Name: 5-Bromo-2-tert-butyl-3-hydroxyisoindolin-1-one
• CAS No.: 1245563-22-7
• Molecular Formula: C12H14BrNO2
• Molecular Weight: 284.14906
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID70682054
• Mol file: 1245563-22-7.mol

Synonyms:1245563-22-7;5-BROMO-2-TERT-BUTYL-3-HYDROXYISOINDOLIN-1-ONE;5-Bromo-2-(tert-butyl)-3-hydroxyisoindolin-1-one;5-bromo-2-tert-butyl-3-hydroxy-3H-isoindol-1-one;DTXSID70682054;VZB56322;MFCD17015788;AKOS015834561;SB64421;BS-19622;CS-0208526;A890486;5-Bromo-2-tert-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

Chemical Property of 5-Bromo-2-tert-butyl-3-hydroxyisoindolin-1-one

Chemical Property:

• Boiling Point: 398.3±42.0 °C(Predicted)
• PKA: 11.88±0.20(Predicted)
• PSA: 40.54000
• Density: 1.531±0.06 g/cm3(Predicted)
• LogP: 2.63220
• Storage Temp.: Room temperature.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 283.02079
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

≥95% ^*data from raw suppliers

5-Bromo-2-tert-butyl-3-hydroxyisoindolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C(C2=C(C1=O)C=CC(=C2)Br)O