Cas no 58841-35-3 (Benzenamine, 4-[2-(4-methylphenoxy)ethoxy]-2-nitro-)

Benzenamine, 4-[2-(4-methylphenoxy)ethoxy]-2-nitro- structure
58841-35-3 structure
Product Name:Benzenamine, 4-[2-(4-methylphenoxy)ethoxy]-2-nitro-
CAS No:58841-35-3
MF:C15H16N2O4
MW:288.298543930054
CID:340660
PubChem ID:21496500
Update Time:2025-04-19

Benzenamine, 4-[2-(4-methylphenoxy)ethoxy]-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-[2-(4-methylphenoxy)ethoxy]-2-nitro-
    • 4-[2-(4-methylphenoxy)ethoxy]-2-nitroaniline
    • DTXSID90614973
    • SCHEMBL11847367
    • 58841-35-3
    • Inchi: 1S/C15H16N2O4/c1-11-2-4-12(5-3-11)20-8-9-21-13-6-7-14(16)15(10-13)17(18)19/h2-7,10H,8-9,16H2,1H3
    • InChI Key: YDFAAEZTUWOHBR-UHFFFAOYSA-N
    • SMILES: O(C1=CC=C(C(=C1)[N+](=O)[O-])N)CCOC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 288.11108
  • Monoisotopic Mass: 288.11100700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 326
  • 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: 3.9
  • Topological Polar Surface Area: 90.3?2

Experimental Properties

  • PSA: 87.62
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