Cas no 1003709-73-6 (4-Cyano-2-fluoro-5-nitrobenzoic acid)

4-Cyano-2-fluoro-5-nitrobenzoic acid structure
1003709-73-6 structure
Product Name:4-Cyano-2-fluoro-5-nitrobenzoic acid
CAS No:1003709-73-6
MF:C8H3FN2O4
MW:210.11882519722
MDL:MFCD07777145
CID:1037500
PubChem ID:45073549
Update Time:2025-04-20

4-Cyano-2-fluoro-5-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Cyano-2-fluoro-5-nitrobenzoic acid
    • 4-Cyano-2-fluoro-5-nitro-benzoic acid
    • AG-C-29059
    • AK-32623
    • CTK7C7322
    • KB-38352
    • MolPort-003-984-160
    • PubChem4606
    • DTXSID20662785
    • CS-0340007
    • 1003709-73-6
    • MFCD07777145
    • DB-058374
    • A20254
    • Benzoic acid, 4-cyano-2-fluoro-5-nitro-
    • AKOS016009658
    • 4-Cyano-2-fluoro-5-nitrobenzoicacid
    • MDL： MFCD07777145
    • Inchi： 1S/C8H3FN2O4/c9-6-1-4(3-10)7(11(14)15)2-5(6)8(12)13/h1-2H,(H,12,13)
    • InChI Key： VETQVQIUKQNKHY-UHFFFAOYSA-N
    • SMILES： FC1=CC(C#N)=C(C=C1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 210.00769
  • Monoisotopic Mass: 210.00768474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 331
  • 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: 1.1
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • PSA: 104.23

4-Cyano-2-fluoro-5-nitrobenzoic acid Security Information

4-Cyano-2-fluoro-5-nitrobenzoic acid Pricemore >>

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abcr
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