4-(4-Chlorophenyl)-1-[4-(4-Fluorophenyl)-4-Oxobutyl]-4-Piperidinyl 4-Azidobenzoate

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Properties Simple | Detailed

Formula C28H31ClFN4O3
IUPAC Name [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate
Molecular Mass 526.022 g·mol−1
Heat of Formation 859.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 587.38 Å 3
Surface Area 507.68 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 4-azidobenzoic acid [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidyl] ester
  • 4-azidobenzoic acid [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl] ester
  • [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxo-butyl]piperidin-4-yl] 4-azidobenzoate
  • azido-haloperidol
  • benzoic acid, 4-azido-, 4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl ester
  • haloperidol 4-azidobenzoate
CAS Number(s)
  • 117345-85-4
InChIKey ZMHKRNQMMRWKIP-UHFFFAOYSA-N
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