2-[(1R)-1-(4-Chlorophenyl)Ethyl]-4,6-Dinitrophenol

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Properties Simple | Detailed

Formula C14H11ClN2O5
IUPAC Name 2-[(1r)-1-(4-chlorophenyl)ethyl]-4,6-dinitro-phenol
Molecular Mass 322.701 g·mol−1
Heat of Formation -127.7 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 338.18 Å 3
Surface Area 304.64 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r)-1-(4-chlorophenyl)ethyl]-4,6-dinitro-phenol
  • 2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol
  • brs
  • dnp-19
InChIKey MOZUMFSUQQHSCO-MRVPVSSYSA-N
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Elements H C Cl O N