3-[Trans-4-(4-Chlorophenyl)Cyclohexyl]-4-Hydroxy-1,2-Naphthalenedione

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Properties Simple | Detailed

Formula C22H19ClO3
IUPAC Name 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione
Molecular Mass 366.837 g·mol−1
Heat of Formation -303.5 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 412.42 Å 3
Surface Area 361.53 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey BSJMWHQBCZFXBR-CTYIDZIISA-N
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Elements H C O Cl