Cas no 4185-53-9 (Benzene, 2-bromo-1,3,5-trinitro-)

Benzene, 2-bromo-1,3,5-trinitro- structure
4185-53-9 structure
Product Name:Benzene, 2-bromo-1,3,5-trinitro-
CAS No:4185-53-9
MF:C6H2BrN3O6
MW:292.000580310822
CID:324313
PubChem ID:533896
Update Time:2025-04-19

Benzene, 2-bromo-1,3,5-trinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-bromo-1,3,5-trinitro-
    • 2-bromo-1,3,5-trinitrobenzene
    • 4185-53-9
    • 2-Bromo-1,3,5-trinitrobenzene #
    • 2-Brom-1,3,5-trinitrobenzol (1. Form)
    • picryl bromide
    • DTXSID40336456
    • WJAMDVPZHYCFJH-UHFFFAOYSA-N
    • AKOS030222508
    • SCHEMBL2085076
    • Inchi: 1S/C6H2BrN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
    • InChI Key: WJAMDVPZHYCFJH-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 290.91266
  • Monoisotopic Mass: 290.91270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • 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: 1.4
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 129.42
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