Ethyl 2-Methyl-5-{[(3-Nitrophenyl)Sulfonyl]Amino}-1-Benzofuran-3-Carboxylate

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Properties Simple | Detailed

Formula C18H16N2O7S
IUPAC Name ethyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylate
Molecular Mass 404.394 g·mol−1
Heat of Formation -638.8 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 429.24 Å 3
Surface Area 334.22 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid ethyl ester
  • 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylic acid ethyl ester
  • ethyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CAS Number(s)
  • 5227-91-8
InChIKey NNOHEQGDSBEQHA-UHFFFAOYSA-N
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