[4-({6-[Allyl(Methyl)Amino]Hexyl}Oxy)-2-Fluorophenyl](4-Bromophenyl)Methanone

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Properties Simple | Detailed

Formula C23H27BrFNO2
IUPAC Name [4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone
Molecular Mass 448.368 g·mol−1
Heat of Formation -334.5 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 504.29 Å 3
Surface Area 370.85 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (4'-(6-allylmethylaminohexyloxy)-2'-fluorophenyl)-4-(4-bromophenyl)methanone fumarate
  • (4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enyl-amino)hexoxy]phenyl]methanone
  • (4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone
  • [4-[6-(allyl-methyl-amino)hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone
  • [4-[6-(allyl-methylamino)hexoxy]-2-fluorophenyl]-(4-bromophenyl)methanone
  • methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-
  • methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-,(2e)-2-butenedioate
  • ro 48-8071
CAS Number(s)
  • 189197-69-1
  • 161582-11-2
InChIKey CMYCCJYVZIMDFU-UHFFFAOYSA-N
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Elements C F H O N Br