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102126-71-6 | 1(3H)-Isobenzofuranone, 5-bromo-3-hydroxy-
CAS No: 102126-71-6 Catalog No: AG0006O6 MDL No:MFCD09836746
Product Description
Catalog Number:
AG0006O6
Chemical Name:
1(3H)-Isobenzofuranone, 5-bromo-3-hydroxy-
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
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
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