Nitroclofene

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Properties Simple | Detailed

Formula C13H8Cl2N2O6
IUPAC Name 2-chloro-6-[(5-chloro-2-hydroxy-3-nitro-phenyl)methyl]-4-nitro-phenol
Molecular Mass 359.118 g·mol−1
Heat of Formation 1020.1 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 334.72 Å 3
Surface Area 321.35 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6'-dichloro-4',6-dinitro-2,2'-methylenediphenol
  • 4-chloro-2-(3-chloro-2-hydroxy-5-nitro-benzyl)-6-nitro-phenol
  • 4-chloro-2-[(3-chloro-2-hydroxy-5-nitro-phenyl)methyl]-6-nitro-phenol
  • 4-chloro-2-[(3-chloro-2-hydroxy-5-nitrophenyl)methyl]-6-nitrophenol
  • nitroclofene
  • nitroclofene [inn]
  • nitroclofeno [inn-spanish]
  • nitroclofenum [inn-latin]
CAS Number(s)
  • 39224-48-1
InChIKey DIRNVHCNISKNQF-UHFFFAOYSA-N
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