Cas no 821773-44-8 (Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester)

Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester structure
821773-44-8 structure
Product Name:Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester
CAS No:821773-44-8
MF:C9H8BrNO4
MW:274.068121910095
CID:697471
PubChem ID:71419941
Update Time:2024-10-27

Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester
    • methyl 4-bromo-3-methyl-2-nitrobenzoate
    • Methyl 4-bromo-3-methyl-2-nitrobenzoate (ACI)
    • 4-Bromo-3-methyl-2-nitrobenzoic acid methyl ester
    • D75723
    • 821773-44-8
    • SCHEMBL16387622
    • AKOS037651278
    • CS-16362
    • CS-0096084
    • DTXSID60839156
    • Methyl4-bromo-3-methyl-2-nitrobenzoate
    • Inchi: 1S/C9H8BrNO4/c1-5-7(10)4-3-6(9(12)15-2)8(5)11(13)14/h3-4H,1-2H3
    • InChI Key: VXXXNVOYCIFVSJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C([N+](=O)[O-])=C(C)C(Br)=CC=1)OC

Computed Properties

  • Exact Mass: 272.96364
  • Monoisotopic Mass: 272.96367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 2.7
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 69.44

Benzoic acid, 4-bromo-3-methyl-2-nitro-, methyl ester Pricemore >>

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