Cas no 23938-86-5 (Methyl 4-bromo-3,5-dinitrobenzoate)

Methyl 4-bromo-3,5-dinitrobenzoate structure
23938-86-5 structure
Product Name:Methyl 4-bromo-3,5-dinitrobenzoate
CAS No:23938-86-5
MF:C8H5BrN2O6
MW:305.039101362228
CID:1419484
PubChem ID:3657758
Update Time:2025-04-20

Methyl 4-bromo-3,5-dinitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-3,5-dinitrobenzoate
    • AC1MTZ08
    • CTK8H7618
    • 4-bromo-3,5-dinitro-benzoic acid methyl ester
    • 4-Brom-3,5-dinitro-benzoesaeure-methylester
    • ZINC03064436
    • 1-Brom-2.6-dinitro-4-methoxycarbonylbenzol
    • 4-Brom-3.5-dinitro-benzoesaeure-methylester
    • ST51000759
    • AKOS003614569
    • AC1MTZ08; CTK8H7618; 4-bromo-3,5-dinitro-benzoic acid methyl ester; 4-Brom-3,5-dinitro-benzoesaeure-methylester; ZINC03064436; 1-Brom-2.6-dinitro-4-methoxycarbonylbenzol; 4-Brom-3.5-dinitro-benzoesaeure-methylester; ST51000759; AKOS003614569;
    • 23938-86-5
    • DTXSID00394739
    • Inchi： 1S/C8H5BrN2O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,1H3
    • InChI Key： ACAXUEJPCRJXRJ-UHFFFAOYSA-N
    • SMILES： BrC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 303.93310g/mol
  • Monoisotopic Mass: 303.93310g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 314
  • 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: 2.1
  • Topological Polar Surface Area: 118?2

Methyl 4-bromo-3,5-dinitrobenzoate Related Literature

23938-86-5 (Methyl 4-bromo-3,5-dinitrobenzoate) Related Products

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