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87427-20-1 | 1H-Pyrrole, 3-nitro-1-(2,3,3-triiodo-2-propenyl)-
CAS No: 87427-20-1 Catalog No: AG004J7X MDL No:
Product Description
Catalog Number:
AG004J7X
Chemical Name:
1H-Pyrrole, 3-nitro-1-(2,3,3-triiodo-2-propenyl)-
CAS Number:
87427-20-1
Molecular Formula:
C7H5I3N2O2
Molecular Weight:
529.8402
IUPAC Name:
3-nitro-1-(2,3,3-triiodoprop-2-enyl)pyrrole
InChI:
InChI=1S/C7H5I3N2O2/c8-6(7(9)10)4-11-2-1-5(3-11)12(13)14/h1-3H,4H2
InChI Key:
MONHCOLYIATZHH-UHFFFAOYSA-N
SMILES:
IC(=C(Cn1ccc(c1)[N+](=O)[O-])I)I
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.749g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
529.842g/mol
Monoisotopic Mass:
529.749g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and quantitative structure-activity relationship analysis of N-triiodoallyl- and N-iodopropargylazoles. New antifungal agents. | Journal of medicinal chemistry 19870301 |
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