Home Bromides 102126-71-6
102126-71-6,MFCD09836746
Catalog No.:AA0006LE
102126-71-6 | 5-Bromo-3-hydroxyisobenzofuran-1(3H)-one
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Purity
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Price(USD)
Quantity
  
500mg
90%
2 weeks  
$229.00   $160.00
- +
1g
90%
2 weeks  
$315.00   $220.00
- +
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Technical Information
Catalog Number:
AA0006LE
Chemical Name:
5-Bromo-3-hydroxyisobenzofuran-1(3H)-one
CAS Number:
102126-71-6
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
MDL Number:
MFCD09836746
IUPAC Name:
5-bromo-3-hydroxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,8,11H
InChI Key:
HJPAMEIHXKSDRO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(O)OC2=O
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.942g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.029g/mol
Monoisotopic Mass:
227.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
102126-71-6 
5-bromo-3-hydroxy-3H-isobenzofuran-1-one 
SCHEMBL18705382 
CTK0G7784 
DTXSID20557783 
HJPAMEIHXKSDRO-UHFFFAOYSA-N 
BBL103294 
STL557104 
AKOS005068061 
Z-0697 
5-Bromo-3-hydroxyisobenzofuran-1(3H)-one 
1(3H)-Isobenzofuranone, 5-bromo-3-hydroxy- 
5-bromo-3-hydroxy-2-benzofuran-1(3H)-one 
1(3H)-Isobenzofuranone,5-bromo-3-hydroxy- 
ACMC-20m54q 
3-hydroxy-5-bromophthalide 
5-Bromo-3-hydroxyphthalide 
SCHEMBL2532868 
Literature
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