5-(Octyldithio)-2-Nitrobenzoic Acid

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Properties Simple | Detailed

Formula C15H21NO4S2
IUPAC Name 2-nitro-5-(octyldisulfanyl)benzoic acid
Molecular Mass 343.462 g·mol−1
Heat of Formation -422.3 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 414.18 Å 3
Surface Area 372.53 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-nitro-5-octyldisulfanyl-benzoic acid
  • 2-nitro-5-octyldisulfanylbenzoic acid
InChIKey IVRGXOYCDSZACZ-UHFFFAOYSA-N
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