1-(2-(2-Iodoethoxy)ethyl)-2-methyl-5-nitro-1H-imidazole

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Basic information

CAS: 16230-89-0
Standard SMILES: Cc1ncc([N+](=O)[O-])n1CCOCCI
InChIKey: YHFFDIVWHSLDNE-UHFFFAOYSA-N
Molecular formula: C8H12IN3O3
Average molar mass: 325.1 g/mol
Monoisotopic mass: 324.99234

Names & identifiers

Preferred name: 1-(2-(2-Iodoethoxy)ethyl)-2-methyl-5-nitro-1H-imidazole
IUPAC: 1-[2-(2-iodoethoxy)ethyl]-2-methyl-5-nitroimidazole
English name: 1-[2-(2-Iodoethoxy)ethyl]-2-methyl-5-nitro-1H-imidazole
Molecular formula: C8H12IN3O3
Molecular weight: 325.1

Names & synonyms

16230-89-0Imidazole, 1-((2-iodoethoxy)ethyl)-2-methyl-5-nitro-1-[2-(2-iodoethoxy)ethyl]-2-methyl-5-nitro-1H-imidazoleDTXSID101673551-(2-(2-Iodoethoxy)ethyl)-2-methyl-5-nitro-1H-imidazoleRefChem:1053876DTXCID6089846BRN 05293671-[2-(2-iodoethoxy)ethyl]-2-methyl-5-nitroimidazole1-((2-Iodoethoxy)ethyl)-2-methyl-5-nitroimidazole1H-Imidazole, 1-[2-(2-iodoethoxy)ethyl]-2-methyl-5-nitro-

Database identifiers

CAS: 16230-89-0
PubChem CID: 204396
DTXSID: DTXSID10167355
Nikkaji: J49.338D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 212

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Compound notes

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