Cas no 88086-70-8 (Benzoic acid, 2-(4-methylphenoxy)-4-nitro-)

Benzoic acid, 2-(4-methylphenoxy)-4-nitro- structure
88086-70-8 structure
Product Name:Benzoic acid, 2-(4-methylphenoxy)-4-nitro-
CAS No:88086-70-8
MF:C14H11NO5
MW:273.240844011307
CID:645837
PubChem ID:64046084
Update Time:2025-04-19

Benzoic acid, 2-(4-methylphenoxy)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(4-methylphenoxy)-4-nitro-
    • 2-(4-methylphenoxy)-4-nitrobenzoic acid
    • AKOS013362771
    • 88086-70-8
    • DTXSID40734690
    • Inchi: 1S/C14H11NO5/c1-9-2-5-11(6-3-9)20-13-8-10(15(18)19)4-7-12(13)14(16)17/h2-8H,1H3,(H,16,17)
    • InChI Key: WWIUDGDIBGZIDU-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C)=CC=1)C1C=C(C=CC=1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 273.06372245g/mol
  • Monoisotopic Mass: 273.06372245g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 359
  • 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: 3.3
  • Topological Polar Surface Area: 92.4?2
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