2-Nitrobenzyl Acetate

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Properties Simple | Detailed

Formula C9H9NO4
IUPAC Name (2-nitrophenyl)methyl acetate
Molecular Mass 195.172 g·mol−1
Heat of Formation -310.1 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 218.71 Å 3
Surface Area 214.82 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry Cs
Synonyms
  • (2-nitrophenyl)methyl ethanoate
  • 2-nitrobenzenemethanol acetate (ester)
  • acetic acid (2-nitrophenyl)methyl ester
  • benzenemethanol, 2-nitro-, acetate (ester)
  • o-nitrobenzyl acetate
CAS Number(s)
  • 77376-01-3
InChIKey CTKPHIBQMJQHOG-UHFFFAOYSA-N
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