Cas no 677302-46-4 (1H-Pyrrolo[3,2-b]pyridine, 1-(phenylsulfonyl)-, 4-oxide)

1H-Pyrrolo[3,2-b]pyridine, 1-(phenylsulfonyl)-, 4-oxide structure
677302-46-4 structure
Product Name:1H-Pyrrolo[3,2-b]pyridine, 1-(phenylsulfonyl)-, 4-oxide
CAS No:677302-46-4
MF:C13H10N2O3S
MW:274.295101642609
CID:1721311
Update Time:2024-11-27

1H-Pyrrolo[3,2-b]pyridine, 1-(phenylsulfonyl)-, 4-oxide Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[3,2-b]pyridine, 1-(phenylsulfonyl)-, 4-oxide
    • Inchi: 1S/C13H10N2O3S/c16-14-9-4-7-13-12(14)8-10-15(13)19(17,18)11-5-2-1-3-6-11/h1-10H
    • InChI Key: NGVARUPFVNPDPX-UHFFFAOYSA-N
    • SMILES: C12C=CN(S(C3=CC=CC=C3)(=O)=O)C=1C=CC=[N+]2[O-]

Computed Properties

  • Exact Mass: 274.0413

Experimental Properties

  • Density: 1.40±0.1 g/cm3(Predicted)
  • Boiling Point: 519.4±60.0 °C(Predicted)
  • PSA: 66.01
  • pka: 0.22±0.30(Predicted)
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