Cas no 50594-37-1 (Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-)

Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]- structure
50594-37-1 structure
Product Name:Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-
CAS No:50594-37-1
MF:C15H12F3NO4
MW:327.255294799805
CID:364597
PubChem ID:12960211
Update Time:2025-04-19

Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]-
    • 2-ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]benzene
    • DTXSID80514054
    • SCHEMBL10363223
    • NZNNBZARHMXARB-UHFFFAOYSA-N
    • (3-ethoxy-4-nitrophenoxy)-4-(tri-fluoromethyl) benzene
    • 50594-37-1
    • Inchi: 1S/C15H12F3NO4/c1-2-22-14-9-12(7-8-13(14)19(20)21)23-11-5-3-10(4-6-11)15(16,17)18/h3-9H,2H2,1H3
    • InChI Key: NZNNBZARHMXARB-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)OC1=CC=C(C(=C1)OCC)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 327.07186
  • Monoisotopic Mass: 327.07184235g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 391
  • 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: 4.1
  • Topological Polar Surface Area: 64.3?2

Experimental Properties

  • PSA: 61.6
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