AC1MY6BJ structure

AC1MY6BJ

5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium

Also Known As: NCGC00335865-01|AB01327780-02|SR-01000083357-1|4-(4-fluorophenyl)-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazol-1-ol 3-oxide|5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium|4-(4-fluorophenyl)-1-hydroxy-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazol-3-ium-3-olate|4-(4-fluorophenyl)-1-hydroxy-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazole 3-oxide

CAS: 698980-30-2
Molecular Formula C17H16FN3O4
Molecular Weight 345.1125 g/mol
LogP 2.9995
Topological Polar Surface Area 92.68 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 345.1125
Monoisotopic Mass 345.1125
Heavy Atoms 25
Complexity 868.4516

Chemical Identifiers

CAS Number 698980-30-2
SMILES CC1C(=[N+](C(N1O)(C)C2=CC(=CC=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)F

Product Overview

AC1MY6BJ (CAS 698980-30-2), with molecular formula C17H16FN3O4 and molecular weight 345.1125 g/mol. IUPAC: 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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