4-Nitrophenyl Iodoacetate

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Properties Simple | Detailed

Formula C8H6INO4
IUPAC Name (4-nitrophenyl) 2-iodoacetate
Molecular Mass 307.042 g·mol−1
Heat of Formation -193.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 238.81 Å 3
Surface Area 233.02 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (4-nitrophenyl) 2-iodoethanoate
  • 2-iodoacetic acid (4-nitrophenyl) ester
  • acetic acid, iodo-, 4-nitrophenyl ester
  • p-nitrophenyl iodoacetate
CAS Number(s)
  • 31252-85-4
InChIKey GERXSZLDSOPHJV-UHFFFAOYSA-N
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