4-(Chlorosulfanyl)-3-Nitrobenzoic Acid

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Properties Simple | Detailed

Formula C7H4ClNO4S
IUPAC Name 4-chlorosulfanyl-3-nitro-benzoic acid
Molecular Mass 233.629 g·mol−1
Heat of Formation -264.9 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 225.2 Å 3
Surface Area 214.3 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ncpsc
  • 2-nitro-4-carboxyphenylsulfenyl chloride
  • 4-(chlorothio)-3-nitro-benzoic acid
  • 4-(chlorothio)-3-nitrobenzoic acid
  • 4-chlorosulfanyl-3-nitrobenzoic acid
  • benzoic acid, 4-(chlorothio)-3-nitro-
CAS Number(s)
  • 19961-56-9
InChIKey UUVOHMQWLRUWAU-UHFFFAOYSA-N
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