Cas no 42578-38-1 (1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (1:))

1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (1:) structure
42578-38-1 structure
Product Name:1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (1:)
CAS No:42578-38-1
MF:C16H13MgNO3S
MW:323.649323225021
CID:324258
Update Time:2023-03-30

1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (1:) Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt
    • 1-Naphthalenesulfonic acid, 8-(phenylamino)-, magnesium salt (1:)
    • Inchi: 1S/C16H13NO3S.Mg.2H/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;;;/h1-11,17H,(H,18,19,20);;;
    • InChI Key: BLNUUFGAIQJXRZ-UHFFFAOYSA-N
    • SMILES: S(C1=CC=CC2=CC=CC(NC3C=CC=CC=3)=C12)(O)(=O)=O.[Mg]

Computed Properties

  • Exact Mass: 323.047
  • Monoisotopic Mass: 323.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 439
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.8A^2
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