Cas no 10242-31-6 (Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)-)

Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)- structure
10242-31-6 structure
Product Name:Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)-
CAS No:10242-31-6
MF:C12H6N4O9
MW:350.197442531586
CID:232484
PubChem ID:243225
Update Time:2025-04-19

Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)-
    • 1,3,5-trinitro-2-(4-nitrophenoxy)benzene
    • 2,4,6-trinitrophenyl 4-nitrophenyl ether
    • 4-nitrophenyl 2,4,6-trinitrophenyl ether
    • 4-nitrophenyl picrate
    • 10242-31-6
    • Diphenyl ether, 2,4,6,4'-tetranitro-
    • NSC52576
    • NSC-52576
    • DTXSID50287804
    • FVMZZFXJYIQEKS-UHFFFAOYSA-N
    • 1,3,5-Trinitro-2-(4-nitrophenoxy)benzene #
    • AKOS001586420
    • MFCD00688175
    • Inchi： 1S/C12H6N4O9/c17-13(18)7-1-3-9(4-2-7)25-12-10(15(21)22)5-8(14(19)20)6-11(12)16(23)24/h1-6H
    • InChI Key： FVMZZFXJYIQEKS-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 350.01300
  • Monoisotopic Mass: 350.01347778g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 517
  • 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: 2.3
  • Topological Polar Surface Area: 193?2

Experimental Properties

  • PSA: 192.51000
  • LogP: 5.20450

Benzene,1,3,5-trinitro-2-(4-nitrophenoxy)- Related Literature

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