2-{Hydroxy[2-Nitro-4-(Trifluoromethyl)Phenyl]Methylene}-1,3-Cyclohexanedione

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Properties Simple | Detailed

Formula C14H10F3NO5
IUPAC Name 2-[hydroxy-[2-nitro-4-(trifluoromethyl)phenyl]methylidene]cyclohexane-1,3-dione
Molecular Mass 329.228 g·mol−1
Heat of Formation 533.3 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 302.21 Å 3
Surface Area 279.69 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -3.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[hydroxy-[2-nitro-4-(trifluoromethyl)phenyl]methylene]cyclohexane-1,3-dione
  • 2-[hydroxy-[2-nitro-4-(trifluoromethyl)phenyl]methylene]cyclohexane-1,3-quinone
  • 2-[hydroxy-[2-nitro-4-(trifluoromethyl)phenyl]methylidene]cyclohexane-1,3-dione
  • 2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione
  • ntd
InChIKey PMHVFNYNPNKNRO-UHFFFAOYSA-N
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