3-Ethyl-6-{[(4-Fluorophenyl)Sulfonyl]Amino}-2-Methylbenzoic Acid

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Properties Simple | Detailed

Formula C16H16FNO4S
IUPAC Name 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methyl-benzoic acid
Molecular Mass 337.366 g·mol−1
Heat of Formation -797.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 374.34 Å 3
Surface Area 309.35 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methylbenzoic acid
  • f77
InChIKey MGUQWAOYPINSIT-UHFFFAOYSA-N
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