3,5-Dibromo-N-(2-Chloro-4-Isothiocyanatophenyl)-2-Hydroxybenzamide

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Properties Simple | Detailed

Formula C14H7Br2ClN2O2S
IUPAC Name 3,5-dibromo-n-(2-chloro-4-isothiocyanato-phenyl)-2-hydroxy-benzamide
Molecular Mass 462.544 g·mol−1
Heat of Formation -1.4 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 387.53 Å 3
Surface Area 353.87 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dibromo-2-chloro-4-isothiocyanatosalicylanilide
  • 3,5-dibromo-2-chlorosalicylanilide-4'-isothiocyanate
  • 3,5-dibromo-n-(2-chloro-4-isothiocyanato-phenyl)-2-hydroxy-benzamide
  • benzamide, 3,5-dibromo-n-(2-chloro-4-isothiocyanatophenyl)-2-hydroxy-
  • cdri 77-6
  • compound 77-6
CAS Number(s)
  • 72670-62-3
InChIKey HIJLHRKFBDDOIL-UHFFFAOYSA-N
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Elements C Cl H O N S Br