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Home > Indoles and Oxindole > 869639-12-3
869639-12-3 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[4,5,6,7-tetraiodo-
CAS No: 869639-12-3 Catalog No: AG004O6S MDL No:
Product Description
Catalog Number:
AG004O6S
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[4,5,6,7-tetraiodo-
CAS Number:
869639-12-3
Molecular Formula:
C18H4I8N2O4
Molecular Weight:
1327.4711
IUPAC Name:
4,5,6,7-tetraiodo-2-[2-(4,5,6,7-tetraiodo-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H4I8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2
InChI Key:
XMWUAAHDWPBQAB-UHFFFAOYSA-N
SMILES:
O=C1N(CCN2C(=O)c3c(C2=O)c(I)c(c(c3I)I)I)C(=O)c2c1c(I)c(c(c2I)I)I
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1327.253g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1327.476g/mol
Monoisotopic Mass:
1327.253g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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