[(2,6-Dichlorophenyl)Methylidyne]Azane Oxide

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Properties Simple | Detailed

Formula C7H3Cl2NO
IUPAC Name 2,6-dichlorobenzonitrile oxide
Molecular Mass 188.011 g·mol−1
Heat of Formation 129.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 188.4 Å 3
Surface Area 188.3 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C2v
Synonyms
  • 2,6-dichlorobenzonitrile n-oxide
CAS Number(s)
  • 2904-62-3
InChIKey XACGZMBUDCYGPB-UHFFFAOYSA-N
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Elements H C N O Cl