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Home > Imidazoles > 98087-58-2
98087-58-2 | 1-(2-(2-IODOPHENOXY)ETHYL)-2-NITROIMIDAZOLE
CAS No: 98087-58-2 Catalog No: AG005WMY MDL No:
Product Description
Catalog Number:
AG005WMY
Chemical Name:
1-(2-(2-IODOPHENOXY)ETHYL)-2-NITROIMIDAZOLE
CAS Number:
98087-58-2
Molecular Formula:
C11H10IN3O3
Molecular Weight:
359.1199
IUPAC Name:
1-[2-(2-iodophenoxy)ethyl]-2-nitroimidazole
InChI:
InChI=1S/C11H10IN3O3/c12-9-3-1-2-4-10(9)18-8-7-14-6-5-13-11(14)15(16)17/h1-6H,7-8H2
InChI Key:
ZWZZOWNBKMKCPK-UHFFFAOYSA-N
SMILES:
Ic1ccccc1OCCn1ccnc1[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.123g/mol
Monoisotopic Mass:
358.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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