N-(3-Cyano-4,5,6,7-Tetrahydro-1-Benzothiophen-2-Yl)-2-Fluorobenzamide

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Properties Simple | Detailed

Formula C16H13FN2OS
IUPAC Name n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-fluoro-benzamide
Molecular Mass 300.351 g·mol−1
Heat of Formation -85.5 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 336.62 Å 3
Surface Area 308.12 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • bas 00184745
  • n-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluoro-benzamide
  • n-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-fluoro-benzamide
  • n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-fluoro-benzamide
  • n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-fluorobenzamide
  • oprea1_083914
  • oprea1_157621
InChIKey YVYPYORTKAIUGJ-UHFFFAOYSA-N
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