Imidazole, 4-ethyl-2-nitro-, mixed with 5-ethyl-2-nitroimidazole (1:1)

HCID 88922

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Basic information

CAS: 21472-25-3
Standard SMILES: CCc1cnc([N+](=O)[O-])[nH]1
InChIKey: ANTIQDYZXQCQJF-UHFFFAOYSA-N
Molecular formula: C5H7N3O2
Average molar mass: 141.13 g/mol
Monoisotopic mass: 141.05382648

Names & identifiers

Preferred name: Imidazole, 4-ethyl-2-nitro-, mixed with 5-ethyl-2-nitroimidazole (1:1)
IUPAC: 5-ethyl-2-nitro-1H-imidazole
English name: 5-Ethyl-2-nitro-1H-imidazole
Molecular formula: C5H7N3O2
Molecular weight: 141.13

Names & synonyms

21472-25-3Imidazole, 4-ethyl-2-nitro-DTXSID70175754RefChem:348872DTXCID20982455-ethyl-2-nitro-1h-imidazole4-ethyl-2-nitroimidazole5-ethyl-2-nitroimidazoleAKOS0063549034-Ethyl-2-nitro-1H-imidazole1H-Imidazole, 5-ethyl-2-nitro-

Database identifiers

CAS: 21472-25-3
PubChem CID: 88922
DTXSID: DTXSID70175754
Nikkaji: J238.917G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 74.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

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