Cas no 111257-93-3 (Naphtho[2,1-b:7,6-b']difuran,2,8-dinitro- (9CI))

Naphtho[2,1-b:7,6-b']difuran,2,8-dinitro- (9CI) structure
111257-93-3 structure
Product Name:Naphtho[2,1-b:7,6-b']difuran,2,8-dinitro- (9CI)
CAS No:111257-93-3
MF:C14H6N2O6
MW:298.207243442535
CID:221940
PubChem ID:13814368
Update Time:2025-04-19

Naphtho[2,1-b:7,6-b']difuran,2,8-dinitro- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,1-b:7,6-b']difuran,2,8-dinitro- (9CI)
    • 2,8-Dinitronaphtho(2,1-b:7,6-b')difuran
    • 111257-93-3
    • Naphtho(2,1-b:7,6-b')difuran, 2,8-dinitro-
    • Inchi: 1S/C14H6N2O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H
    • InChI Key: GFPYASSZYKIUBS-UHFFFAOYSA-N
    • SMILES: O1C(=CC2=C1C=CC1C=C3C=C([N+](=O)[O-])OC3=CC=12)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 298.02258592g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 489
  • 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: 4.3
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 52.54
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