N-(2-Bromo-5-Cyanophenyl)-4-Cyano-2-Hydroxy-6-Methyl-3-(2-Methyl-2-Propanyl)Benzamide

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Properties Simple | Detailed

Formula C20H18BrN3O2
IUPAC Name n-(2-bromo-5-cyano-phenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methyl-benzamide
Molecular Mass 412.280 g·mol−1
Heat of Formation 1.7 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 437.49 Å 3
Surface Area 377.98 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-tbdcmbs
  • 3-tert-butyl-4,5'-dicyano-6-methyl-2'-bromosalicylanilide
  • benzamide, n-(2-bromo-5-cyanophenyl)-4-cyano-3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-
  • n-(2-bromo-5-cyano-phenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methyl-benzamide
  • n-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide
CAS Number(s)
  • 75790-50-0
InChIKey GUQOBHIZESNKJK-UHFFFAOYSA-N
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Elements H C O Br N