5-bromo-3-hydroxy-3H-isobenzofuran-1-one

Base Information

• Chemical Name: 5-bromo-3-hydroxy-3H-isobenzofuran-1-one
• CAS No.: 102126-71-6
• Molecular Formula: C8H5BrO3
• Molecular Weight: 229.03
• European Community (EC) Number: 855-786-5
• DSSTox Substance ID: DTXSID20557783
• Mol file: 102126-71-6.mol

Synonyms:102126-71-6;5-bromo-3-hydroxy-3H-isobenzofuran-1-one;5-Bromo-3-hydroxyisobenzofuran-1(3H)-one;5-BROMO-3-HYDROXY-3H-2-BENZOFURAN-1-ONE;5-bromo-3-hydroxy-2-benzofuran-1(3H)-one;3-hydroxy-5-bromophthalide;5-Bromo-3-hydroxyphthalide;SCHEMBL2532868;SCHEMBL18705382;DTXSID20557783;HJPAMEIHXKSDRO-UHFFFAOYSA-N;CEA12671;MFCD09836746;AKOS005068061;MS-20595;CS-0335651

Chemical Property of 5-bromo-3-hydroxy-3H-isobenzofuran-1-one

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.94221
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(OC2=O)O