4-Nitrophenyl 2-Azidobenzoate

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Properties Simple | Detailed

Formula C13H8N4O4
IUPAC Name (4-nitrophenyl) 2-azidobenzoate
Molecular Mass 284.227 g·mol−1
Heat of Formation 2247.7 ± 16.7 kJ·mol−1
Dipole Moment 9.17 ± 1.08 D
Volume 293.81 Å 3
Surface Area 280.58 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4-nitrophenyl) 2-azidobenzoate
  • 2-azidobenzoic acid (4-nitrophenyl) ester
  • 4-nitrophenyl 2-azidobenzoate
  • benzoic acid, 2-azido-, 4-nitrophenyl ester
  • para-nitrophenyl 2-azidobenzoate
  • pnpab
CAS Number(s)
  • 78995-59-2
InChIKey YWWFLFSEWRWIND-UHFFFAOYSA-N
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