5-[(Dimethoxyphosphorothioyl)Oxy]-2-Nitrobenzoic Acid

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Formula C9H10NO7PS
IUPAC Name 5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acid
Molecular Mass 307.217 g·mol−1
Heat of Formation -104.8 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 285.73 Å 3
Surface Area 264.92 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-carboxyfenitrothion
  • 5-((dimethoxyphosphinothioyl)oxy)-2-nitrobenzoic acid
  • 5-dimethoxyphosphinothioyloxy-2-nitro-benzoic acid
  • 5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acid
  • 5-dimethoxythiophosphoryloxy-2-nitro-benzoic acid
  • benzoic acid, 5-((dimethoxyphosphinothioyl)oxy)-2-nitro-
  • brn 2164235
  • carbomethoxyfenitrothion
  • carboxyfenitrothion
  • carboxysumithion
  • phosphorothioic acid, o-(3-carboxy-4-nitrophenyl) o,o-dimethyl ester
CAS Number(s)
  • 54812-31-6
InChIKey VQQKSYZYVZFNSY-UHFFFAOYSA-N
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