4-{[(4-Bromo-3-Hydroxy-5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Carbonyl]Amino}-2-Fluorobenzoic Acid

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Properties Simple | Detailed

Formula C22H23BrFNO4
IUPAC Name 4-[(8-bromo-7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-carbonyl)amino]-2-fluoro-benzoic acid
Molecular Mass 464.325 g·mol−1
Heat of Formation -851.2 ± 16.7 kJ·mol−1
Dipole Moment 7.88 ± 1.08 D
Volume 474.95 Å 3
Surface Area 400.86 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylamino]-2-fluoro-benzoic acid
  • 4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]-2-fluorobenzoic acid
  • 4-[[(8-bromo-7-hydroxy-1,1,4,4-tetramethyl-6-tetralinyl)-oxomethyl]amino]-2-fluorobenzoic acid
  • agn 193835
InChIKey DSUOXYMLVNTNHY-UHFFFAOYSA-N
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Elements C F H O N Br