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Home > Indoles and Oxindole > 208592-53-4
208592-53-4 | 1H-Indole-2,3-dione, 7-iodo-5-methyl-
CAS No: 208592-53-4 Catalog No: AG002JS9 MDL No:MFCD28679655
Product Description
Catalog Number:
AG002JS9
Chemical Name:
1H-Indole-2,3-dione, 7-iodo-5-methyl-
CAS Number:
208592-53-4
Molecular Formula:
C9H6INO2
Molecular Weight:
287.0539
MDL Number:
MFCD28679655
IUPAC Name:
7-iodo-5-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6INO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChI Key:
PDJSHZMMLXJRSP-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c2c(c1)C(=O)C(=O)N2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.056g/mol
Monoisotopic Mass:
286.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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