3-Nitrophenyl Azide

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Properties Simple | Detailed

Formula C6H4N4O2
IUPAC Name 1-azido-3-nitro-benzene
Molecular Mass 164.122 g·mol−1
Heat of Formation 403.6 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 176.97 Å 3
Surface Area 181.86 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-azido-3-nitrobenzene
  • benzene, 1-azido-3-nitro-
  • t0400-4302
CAS Number(s)
  • 1516-59-2
InChIKey AMLBZFBNQYJIRI-UHFFFAOYSA-N
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