2,4,6-Tribromophenyl Isocyanate

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Properties Simple | Detailed

Formula C7H2Br3NO
IUPAC Name 1,3,5-tribromo-2-isocyanato-benzene
Molecular Mass 355.809 g·mol−1
Heat of Formation 85.2 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 232.94 Å 3
Surface Area 219.96 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,5-tribromo-2-isocyanatobenzene
InChIKey NGVBAZXOCBEMDK-UHFFFAOYSA-N
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Elements H C O Br N