2,6-Dibromo-4-[(6,7-Dimethoxy-4-Quinazolinyl)Amino]Phenol

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Properties Simple | Detailed

Formula C16H13Br2N3O3
IUPAC Name 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Molecular Mass 455.101 g·mol−1
Heat of Formation -90.6 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 395.02 Å 3
Surface Area 357.73 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3′,5′-dibromo-4-hydroxyphenyl)amino-6,7-dimethoxyquinazoline
  • jak3 inhibitor iii
  • whi-p97
InChIKey YVCXQRVVNQMZEI-UHFFFAOYSA-N
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Elements H C O Br N