8-Bromo-4-[(3-Chloro-4-Fluorophenyl)Amino]-6-{[(1-Methyl-1H-Imidazol-4-Yl)Methyl]Amino}-3-Quinolinecarbonitrile

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Properties Simple | Detailed

Formula C21H15BrClFN6
IUPAC Name 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-[(3-methyl-4h-imidazol-3-ium-4-ylium-5-yl)methylamino]quinoline-3-carbonitrile
Molecular Mass 485.739 g·mol−1
Heat of Formation 348.0 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 485.15 Å 3
Surface Area 376.15 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
InChIKey GTXFFNURYUQKEA-UHFFFAOYSA-N
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Elements C F H Cl N Br