Clodoxopone

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Properties Simple | Detailed

Formula C21H21ClN2O3
IUPAC Name 4-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Molecular Mass 384.856 g·mol−1
Heat of Formation -192.7 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 445.81 Å 3
Surface Area 389.19 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dioxol-2-one, 4-(4-chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
  • 4-(4-chlorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one
  • 4-(p-chlorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-one
  • lr 19731
  • lr-19731
CAS Number(s)
  • 71923-34-7
InChIKey QPIRWBYRKYGHDQ-UHFFFAOYSA-N
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Elements H C N O Cl