Cas no 36749-41-4 ( )

  structure
  structure
Product Name: 
CAS No:36749-41-4
MF:C8H5BrN2O6
MW:305.039101362228
CID:921625
PubChem ID:293192
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • methyl 2-bromo-3,5-dinitrobenzoate
    • 2-Brom-3,5-dinitro-benzoesaeure-methylester
    • 2-bromo-3,5-dinitro-benzoic acid methyl ester
    • AC1L6JNC
    • AC1Q5AKY
    • AG-K-86878
    • AR-1J4703
    • CTK4H7082
    • NSC159525
    • SCHEMBL13987139
    • MFCD15466487
    • CS-0361760
    • XSJXJYYYTKHXQW-UHFFFAOYSA-N
    • DB-330001
    • methyl2-bromo-3,5-dinitrobenzoate
    • 2-bromo-3,5-dinitrobenzoic acid methyl ester
    • NSC-159525
    • 36749-41-4
    • AKOS011218881
    • DTXSID60303645
    •  
    • Inchi: 1S/C8H5BrN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3
    • InChI Key: XSJXJYYYTKHXQW-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC(=CC=1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 303.93305
  • 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: 338
  • 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

Experimental Properties

  • PSA: 112.58
  • LogP: 3.09850

  Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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Methyl 2-bromo-3,5-dinitrobenzoate
36749-41-4 95%
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£98.00 2025-02-20
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abcr
AB597984-250mg
Methyl 2-bromo-3,5-dinitrobenzoate; .
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250mg
€214.10 2025-04-19
abcr
AB597984-1g
Methyl 2-bromo-3,5-dinitrobenzoate; .
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€564.00 2025-04-19
abcr
AB597984-5g
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