1-Isocyanato-2-Methyl-3-Nitrobenzene

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Properties Simple | Detailed

Formula C8H6N2O3
IUPAC Name 1-isocyanato-2-methyl-3-nitro-benzene
Molecular Mass 178.145 g·mol−1
Heat of Formation -22.0 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 195.07 Å 3
Surface Area 192.13 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-3-nitrophenyl isocyanate
InChIKey NSEABHDWHUBNCA-UHFFFAOYSA-N
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