Tcmdc-125465

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Properties Simple | Detailed

Formula C15H8ClF6NO2
IUPAC Name n-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzamide
Molecular Mass 383.673 g·mol−1
Heat of Formation -1537.7 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 364.81 Å 3
Surface Area 333.39 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • ikk-2 inhibitor v
  • n-(3,5-bis-trifluoromethylphenyl)-5-chloro-2-hydroxybenzamide
  • n-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
InChIKey CHILCFMQWMQVAL-UHFFFAOYSA-N
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Elements C F H Cl O N