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Home > Indoles and Oxindole > 74586-42-8
74586-42-8 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetraiodo-
CAS No: 74586-42-8 Catalog No: AG005W4B MDL No:
Product Description
Catalog Number:
AG005W4B
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetraiodo-
CAS Number:
74586-42-8
Molecular Formula:
C8HI4NO2
Molecular Weight:
650.7169
IUPAC Name:
4,5,6,7-tetraiodoisoindole-1,3-dione
InChI:
InChI=1S/C8HI4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChI Key:
DJXKYAHHHYONOY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(I)c(c(c2I)I)I
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.619g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
650.719g/mol
Monoisotopic Mass:
650.619g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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