2,6-Difluoro-4-{[(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Carbonyl]Amino}Benzoic Acid

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Formula C22H23F2NO3
IUPAC Name 2,6-difluoro-4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
Molecular Mass 387.420 g·mol−1
Heat of Formation -902.9 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 450.43 Å 3
Surface Area 386.13 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-difluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid
  • 2,6-difluoro-4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
  • 2,6-difluoro-4-[[oxo-(1,1,4,4-tetramethyl-6-tetralinyl)methyl]amino]benzoic acid
InChIKey WTKJHVPWANEVRO-UHFFFAOYSA-N
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