Methyl 4-Nitrobenzenesulfonate

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Properties Simple | Detailed

Formula C7H7NO5S
IUPAC Name methyl 4-nitrobenzenesulfonate
Molecular Mass 217.199 g·mol−1
Heat of Formation -415.6 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 221.27 Å 3
Surface Area 214.69 Å 2
HOMO Energy -11.08 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrobenzenesulfonic acid methyl ester
  • benzenesulfonic acid, 4-nitro-, methyl ester
  • benzenesulfonic acid, p-nitro-, methyl ester
  • methyl 4-nitrobenzenesulphonate
  • methyl p-nitrobenzenesulfonate
  • methyl p-nitrobenzenesulphonate
  • methyl-4-nitrobenzenesulfonate
CAS Number(s)
  • 6214-20-6
InChIKey RMNJNEUWTBBZPT-UHFFFAOYSA-N
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