Cas no 30034-76-5 (Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro-)

Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro- structure
30034-76-5 structure
Product Name:Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro-
CAS No:30034-76-5
MF:C18H20N2O4
MW:328.362404823303
CID:319300
PubChem ID:258425
Update Time:2025-04-19

Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1-[2,3-dimethyl-3-(4-nitrophenyl)butan-2-yl]-4-nitrobenzene
    • 1,1'-(2,3-dimethylbutane-2,3-diyl)bis(4-nitrobenzene)
    • 2,3-Dimethyl-2,3-bis-(4-nitro-phenyl)-butan
    • 2,3-dimethyl-2,3-bis-(4-nitro-phenyl)-butane
    • AC1L5YX3
    • AC1Q1Z5D
    • AR-1B3426
    • CTK4G4226
    • KST-1B3457
    • NCIOpen2_009384
    • NSC87330
    • p,p'-dinitrobicumyl
    • 30034-76-5
    • NSC-87330
    • DTXSID30293125
    • SCHEMBL1538287
    • Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro-
    • Inchi： 1S/C18H20N2O4/c1-17(2,13-5-9-15(10-6-13)19(21)22)18(3,4)14-7-11-16(12-8-14)20(23)24/h5-12H,1-4H3
    • InChI Key： FHFAECPZWSCPOH-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)C(C)(C)C(C)(C)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 328.1424
  • Monoisotopic Mass: 328.14230712g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 418
  • 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: 5.5
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • PSA: 86.28
  • LogP: 5.80480

Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro- Related Literature

30034-76-5 (Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis[4-nitro-) Related Products

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