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147149-84-6 | 1H-Indole-2,3-dione, 4-bromo-5-methyl-
CAS No: 147149-84-6 Catalog No: AG001EO8 MDL No:MFCD00560709
Product Description
Catalog Number:
AG001EO8
Chemical Name:
1H-Indole-2,3-dione, 4-bromo-5-methyl-
CAS Number:
147149-84-6
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00560709
IUPAC Name:
4-bromo-5-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6BrNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)
InChI Key:
DKAVQCARZCYRIS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(Br)c(cc2)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Modulation of GSK-3β activity in Venezuelan equine encephalitis virus infection. | PloS one 20120101 |
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