Cas no 88581-14-0 (Naphthalene, 3-nitro-1-[(trifluoromethyl)sulfonyl]-)

Naphthalene, 3-nitro-1-[(trifluoromethyl)sulfonyl]- structure
88581-14-0 structure
Product Name:Naphthalene, 3-nitro-1-[(trifluoromethyl)sulfonyl]-
CAS No:88581-14-0
MF:C11H6F3NO4S
MW:305.229852199554
CID:627867
PubChem ID:71318850
Update Time:2025-04-19

Naphthalene, 3-nitro-1-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene, 3-nitro-1-[(trifluoromethyl)sulfonyl]-
    • 3-nitro-1-(trifluoromethylsulfonyl)naphthalene
    • DTXSID00748910
    • 3-Nitro-1-(trifluoromethanesulfonyl)naphthalene
    • 88581-14-0
    • Inchi: 1S/C11H6F3NO4S/c12-11(13,14)20(18,19)10-6-8(15(16)17)5-7-3-1-2-4-9(7)10/h1-6H
    • InChI Key: WFJNODLBKMIJPZ-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=C(C=C2C=CC=CC=12)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 304.99696333g/mol
  • Monoisotopic Mass: 304.99696333g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 479
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 88.3?2
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