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94157-74-1 | 1H-Imidazole, 1-[2-(diiodophenoxy)ethyl]-2-nitro-
CAS No: 94157-74-1 Catalog No: AG006Q9L MDL No:
Product Description
Catalog Number:
AG006Q9L
Chemical Name:
1H-Imidazole, 1-[2-(diiodophenoxy)ethyl]-2-nitro-
CAS Number:
94157-74-1
Molecular Formula:
C11H9I2N3O3
Molecular Weight:
485.0164
IUPAC Name:
1-[2-(2,3-diiodophenoxy)ethyl]-2-nitroimidazole
InChI:
InChI=1S/C11H9I2N3O3/c12-8-2-1-3-9(10(8)13)19-7-6-15-5-4-14-11(15)16(17)18/h1-5H,6-7H2
InChI Key:
QIECRPAWYXKCMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1CCOc1cccc(c1I)I
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.873g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.02g/mol
Monoisotopic Mass:
484.873g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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