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116989-52-7

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116989-52-7 Structure

116989-52-7 Structure
IdentificationBack Directory
[Name]

1H-Imidazole-1-ethanol, α-(chloromethyl)-5-nitro-
[CAS]

116989-52-7
[Synonyms]

Ornidazole Impurity K
Ornidazole Impurity 35
1H-Imidazole-1-ethanol, α-(chloromethyl)-5-nitro-
[Molecular Formula]

C6H8ClN3O3
[MOL File]

116989-52-7.mol
[Molecular Weight]

205.6
Chemical PropertiesBack Directory
[Boiling point ]

455.5±40.0 °C(Predicted)
[density ]

1.60±0.1 g/cm3(Predicted)
[pka]

13.27±0.20(Predicted)
[InChI]

InChI=1S/C6H8ClN3O3/c7-1-5(11)3-9-4-8-2-6(9)10(12)13/h2,4-5,11H,1,3H2
[InChIKey]

YGEQAIDLICDUKU-UHFFFAOYSA-N
[SMILES]

N(C1=CN=CN1CC(O)CCl)(=O)=O
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