3-Nitro-4-Fluorobenzoic Acid

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Properties Simple | Detailed

Formula C7H4FNO4
IUPAC Name 4-fluoro-3-nitro-benzoic acid
Molecular Mass 185.109 g·mol−1
Heat of Formation -472.1 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 183.68 Å 3
Surface Area 183.74 Å 2
HOMO Energy -11.19 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-fluoro-3-nitrobenzoic acid
  • fr-1253
  • p-fluoro-3-nitrobenzoic acid
CAS Number(s)
  • 453-71-4
InChIKey BOJWTAQWPVBIPG-UHFFFAOYSA-N
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DOI
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Elements H C N O F