2-(Chloromethyl)-4-Nitrophenyl Acetate

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Properties Simple | Detailed

Formula C9H8ClNO4
IUPAC Name [2-(chloromethyl)-4-nitro-phenyl] acetate
Molecular Mass 229.617 g·mol−1
Heat of Formation -364.7 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 242.31 Å 3
Surface Area 226.36 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(chloromethyl)-4-nitro-phenyl] ethanoate
  • [2-(chloromethyl)-4-nitrophenyl] acetate
  • acetic acid [2-(chloromethyl)-4-nitro-phenyl] ester
  • acetic acid [2-(chloromethyl)-4-nitrophenyl] ester
InChIKey XLEUIPVVUKAVGL-UHFFFAOYSA-N
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Elements H C N O Cl