2-(3-Bromo-2-Hydroxy-5-Methylphenyl)-1H-Indole-5-Carboxamidine

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Properties Simple | Detailed

Formula C16H15BrN3O
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]indol-1-ium-3a-id-2-yl]-6-bromo-4-methyl-phenolate
Molecular Mass 345.214 g·mol−1
Heat of Formation 271.4 ± 16.7 kJ·mol−1
Dipole Moment 23.63 ± 1.08 D
Volume 341.89 Å 3
Surface Area 315.66 Å 2
HOMO Energy -6.56 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1h-indole-5-carboxamidine
  • 2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1h-indole-5-carboximidamide
InChIKey BVTBOJXEAPSOEB-UHFFFAOYSA-N
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Elements H C Br O N