Cas no 88948-20-3 (Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-)

Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro- structure
88948-20-3 structure
Product Name:Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-
CAS No:88948-20-3
MF:C19H16N4O4
MW:364.35474395752
CID:618838
PubChem ID:13184839
Update Time:2025-04-19

Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro- Chemical and Physical Properties

Names and Identifiers

    • 4-[(4-amino-2-nitrophenyl)-phenylmethyl]-3-nitroaniline
    • DTXSID10525658
    • 88948-20-3
    • 4,4'-(Phenylmethylene)bis(3-nitroaniline)
    • Benzenamine, 4,4'-(phenylmethylene)bis[3-nitro-
    • Inchi: 1S/C19H16N4O4/c20-13-6-8-15(17(10-13)22(24)25)19(12-4-2-1-3-5-12)16-9-7-14(21)11-18(16)23(26)27/h1-11,19H,20-21H2
    • InChI Key: BRGHHVNMYXDZIU-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C=CC=1C(C1C=CC=CC=1)C1C=CC(=CC=1[N+](=O)[O-])N)N)=O

Computed Properties

  • Exact Mass: 364.11715500g/mol
  • Monoisotopic Mass: 364.11715500g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 491
  • 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: 3.6
  • Topological Polar Surface Area: 144?2
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