[4-({[(3-Nitro-2-Pyridinyl)Sulfanyl]Oxy}Methyl)Phenyl]Acetic Acid

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Properties Simple | Detailed

Formula C14H12N2O5S
IUPAC Name 2-[4-[(3-nitro-2-pyridyl)sulfanyloxymethyl]phenyl]acetic acid
Molecular Mass 320.320 g·mol−1
Heat of Formation -287.2 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 347.32 Å 3
Surface Area 319.15 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(3-nitropyridin-2-yl)sulfanyloxymethyl]phenyl]acetic acid
  • 2-[4-[(3-nitropyridin-2-yl)sulfanyloxymethyl]phenyl]ethanoic acid
  • 2-[4-[[(3-nitro-2-pyridyl)thio]oxymethyl]phenyl]acetic acid
  • 4-(3'-nitro-2'-pyridinesulfenyloxymethyl)phenylacetic acid
  • 4-npmpa
  • benzeneacetic acid, 4-((((3-nitro-2-pyridinyl)thio)oxy)methyl)-
CAS Number(s)
  • 77357-10-9
InChIKey ISDBDHAODVVOQY-UHFFFAOYSA-N
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