Cas no 27478-84-8 (dinitronaphthalene)

dinitronaphthalene structure
dinitronaphthalene structure
Product Name:dinitronaphthalene
CAS No:27478-84-8
MF:C10H6N2O4
MW:218.165642261505
CID:914821
PubChem ID:612684
Update Time:2025-04-19

dinitronaphthalene Chemical and Physical Properties

Names and Identifiers

    • dinitronaphthalene
    • dinitro naphthalene
    • NS00051148
    • AKOS021983956
    • 24934-47-2
    • Dinitronaphthalin
    • DB-083633
    • STL426722
    • BBL035534
    • SCHEMBL187452
    • 1,2-Dinitronaphthalene
    • 27478-84-8
    • Naphthalene, 1,2-dinitro-
    • DTXSID50947815
    • VS-13160
    • 27478-34-8
    • Inchi: 1S/C10H6N2O4/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12(15)16/h1-6H
    • InChI Key: XNKFCDGEFCOQOM-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(=CC=C2C=CC=CC2=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 218.03300
  • Monoisotopic Mass: 218.03275668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 296
  • 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: 2.8
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • PSA: 91.64000
  • LogP: 3.70260
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