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19971-28-9 | 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetraiodo-2-(2-thiazolyl)-
CAS No: 19971-28-9 Catalog No: AG002CA9 MDL No:
Product Description
Catalog Number:
AG002CA9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetraiodo-2-(2-thiazolyl)-
CAS Number:
19971-28-9
Molecular Formula:
C11H2I4N2O2S
Molecular Weight:
733.8287
IUPAC Name:
4,5,6,7-tetraiodo-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H2I4N2O2S/c12-5-3-4(6(13)8(15)7(5)14)10(19)17(9(3)18)11-16-1-2-20-11/h1-2H
InChI Key:
RBCCHBSZFZCJIW-UHFFFAOYSA-N
SMILES:
O=C1N(c2nccs2)C(=O)c2c1c(I)c(c(c2I)I)I
NSC Number:
95662
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
733.602g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
733.827g/mol
Monoisotopic Mass:
733.602g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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