Formula |
C28H26ClFN4O3 |
IUPAC Name |
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate |
Molecular Mass |
520.982 g·mol−1 |
Heat of Formation |
-164.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.97 ± 1.08 D |
Volume |
605.88 Å 3 |
Surface Area |
512.89 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
1.76 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 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
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CAS Number(s) |
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InChIKey |
ZMHKRNQMMRWKIP-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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