Cas no 1249558-76-6 (Ethyl 2,3-difluoro-5-nitrobenzoate)

Ethyl 2,3-difluoro-5-nitrobenzoate structure
1249558-76-6 structure
Product Name:Ethyl 2,3-difluoro-5-nitrobenzoate
CAS No:1249558-76-6
MF:C9H7F2NO4
MW:231.152989625931
CID:1090887
PubChem ID:54593849
Update Time:2025-04-20

Ethyl 2,3-difluoro-5-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,3-difluoro-5-nitrobenzoate
    • Benzoic acid, 2,3-difluoro-5-nitro-, ethyl ester
    • DTXSID20712395
    • G44118
    • CS-0261601
    • EN300-79191
    • ethyl2,3-difluoro-5-nitrobenzoate
    • SCHEMBL20298767
    • AKOS011956234
    • 1249558-76-6
    • Z994478792
    • Inchi: 1S/C9H7F2NO4/c1-2-16-9(13)6-3-5(12(14)15)4-7(10)8(6)11/h3-4H,2H2,1H3
    • InChI Key: NHEKHQXERSEBAK-UHFFFAOYSA-N
    • SMILES: FC1=C(C=C(C=C1C(=O)OCC)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 231.03431403g/mol
  • Monoisotopic Mass: 231.03431403g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 281
  • 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: 2.2
  • Topological Polar Surface Area: 72.1?2

Ethyl 2,3-difluoro-5-nitrobenzoate Pricemore >>

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