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Home > Imidazoles > 16156-90-4
16156-90-4 | 1H-Imidazole, 1-(2-iodoethyl)-2-methyl-5-nitro-
CAS No: 16156-90-4 Catalog No: AG001VPD MDL No:MFCD01721458
Product Description
Catalog Number:
AG001VPD
Chemical Name:
1H-Imidazole, 1-(2-iodoethyl)-2-methyl-5-nitro-
CAS Number:
16156-90-4
Molecular Formula:
C6H8IN3O2
Molecular Weight:
281.0511
MDL Number:
MFCD01721458
IUPAC Name:
1-(2-iodoethyl)-2-methyl-5-nitroimidazole
InChI:
InChI=1S/C6H8IN3O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3H2,1H3
InChI Key:
ROXLQGHOPINWFU-UHFFFAOYSA-N
SMILES:
ICCn1c(C)ncc1[N+](=O)[O-]
UNII:
4KF74X42GX
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.966g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.053g/mol
Monoisotopic Mass:
280.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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