2-[(2-Cyano-3-Fluoro-5-Hydroxyphenyl)Sulfanyl]Ethanesulfonic Acid

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Properties Simple | Detailed

Formula C9H8FNO4S2
IUPAC Name 2-(2-cyano-3-fluoro-5-hydroxy-phenyl)sulfanylethanesulfonic acid
Molecular Mass 277.293 g·mol−1
Heat of Formation -699.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 281.86 Å 3
Surface Area 267.41 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey ZFJOGPQOJAOGAK-UHFFFAOYSA-N
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