Cas no 59820-64-3 (Acetic acid, (4-amino-3-nitrophenoxy)-, ethyl ester)

Acetic acid, (4-amino-3-nitrophenoxy)-, ethyl ester structure
59820-64-3 structure
Product Name:Acetic acid, (4-amino-3-nitrophenoxy)-, ethyl ester
CAS No:59820-64-3
MF:C10H12N2O5
MW:240.212682723999
CID:337212
PubChem ID:53821533
Update Time:2025-04-19

Acetic acid, (4-amino-3-nitrophenoxy)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, (4-amino-3-nitrophenoxy)-, ethyl ester
    • ethyl 2-(4-amino-3-nitrophenoxy)acetate
    • FWCPUNXESYWUEA-UHFFFAOYSA-N
    • 59820-64-3
    • Ethyl 4-amino-3-nitro-phenoxy-acetate
    • Ethyl (4-amino-3-nitrophenoxy)acetate
    • SCHEMBL8322813
    • DTXSID50706924
    • Inchi: 1S/C10H12N2O5/c1-2-16-10(13)6-17-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6,11H2,1H3
    • InChI Key: FWCPUNXESYWUEA-UHFFFAOYSA-N
    • SMILES: O(CC(=O)OCC)C1C=CC(=C(C=1)[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 240.07466
  • Monoisotopic Mass: 240.07462149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 278
  • 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: 2.1
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • PSA: 104.69
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