3-Nitrobenzaldehyde

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Properties Simple | Detailed

Formula C7H5NO3
IUPAC Name 3-nitrobenzaldehyde
Molecular Mass 151.119 g·mol−1
Heat of Formation -41.5 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 165.31 Å 3
Surface Area 169.64 Å 2
HOMO Energy -10.84 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-formylnitrobenzene
  • 5-nitrobenzaldehyde
  • ap-065/40233249
  • benzaldehyde, 3-nitro-
  • benzaldehyde, m-nitro-
  • m-nitrobenzaldehyde
CAS Number(s)
  • 99-61-6
InChIKey ZETIVVHRRQLWFW-UHFFFAOYSA-N
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