(4-Hydroxy-3-Iodo-5-Nitrophenyl)Acetic Acid

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Properties Simple | Detailed

Formula C8H6INO5
IUPAC Name 2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetic acid
Molecular Mass 323.041 g·mol−1
Heat of Formation -404.7 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 249.42 Å 3
Surface Area 236.11 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-hydroxy-3-iodo-5-nitro-phenyl)ethanoic acid
  • 2-(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid
  • 4-hydroxy-3-iodo-5-nitrophenylacetic acid
  • benzeneacetic acid, 4-hydroxy-3-iodo-5-nitro-
  • nip-hapten
  • nitrohydroxyiodophenylacetate
CAS Number(s)
  • 2646-51-7
InChIKey KPWFDZXSCIFGNO-UHFFFAOYSA-N
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