2-Methyl-4-Nitroquinoline 1-Oxide

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Properties Simple | Detailed

Formula C10H8N2O3
IUPAC Name 2-methyl-4-nitro-1-oxido-5,6,7,8-tetrahydro-3h-quinoline-2,3,4,4a,5,6,7,8,8a-nonaide
Molecular Mass 204.182 g·mol−1
Heat of Formation 130.8 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 220.99 Å 3
Surface Area 211.87 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-methyl-4-nitro-1-oxido-quinolin-1-ium
  • 2-methyl-4-nitro-1-oxidoquinolin-1-ium
  • 2-methyl-4-nitro-quinoline 1-oxide
  • 2-methyl-4-nitroquinoline n-oxide
  • 2-methyl-4-nitroquinoline-1-oxide
  • 4-nitroquinaldine 1-oxide
  • 4-nitroquinaldine n-oxide
  • 4-nitroquinaldine-n-oxide
  • quinaldine, 4-nitro-, 1-oxide
  • quinoline, 2-methyl-4-nitro, 1-oxide
  • quinoline, 2-methyl-4-nitro-, 1-oxide
  • quinoline, 2-methyl-4-nitro-, 1-oxide (9ci)
CAS Number(s)
  • 4831-62-3
InChIKey YRPLTHBJMGSMKH-UHFFFAOYSA-N
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