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Home > Indoles and Oxindole > 89811-33-6
89811-33-6 | 1H-Isoindole-1,3(2H)-dione, 2-(2-furanylmethyl)-4,5,6,7-tetraiodo-
CAS No: 89811-33-6 Catalog No: AG003ZAS MDL No:
Product Description
Catalog Number:
AG003ZAS
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-furanylmethyl)-4,5,6,7-tetraiodo-
CAS Number:
89811-33-6
Molecular Formula:
C13H5I4NO3
Molecular Weight:
730.8016
IUPAC Name:
2-(furan-2-ylmethyl)-4,5,6,7-tetraiodoisoindole-1,3-dione
InChI:
InChI=1S/C13H5I4NO3/c14-8-6-7(9(15)11(17)10(8)16)13(20)18(12(6)19)4-5-2-1-3-21-5/h1-3H,4H2
InChI Key:
GLOFSXIHRVKPRR-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccco2)C(=O)c2c1c(I)c(c(c2I)I)I
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
730.645g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
730.805g/mol
Monoisotopic Mass:
730.645g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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