Cas no 68556-19-4 ((2,5-dimethoxy-4-nitrophenyl) phenyl ketone)

(2,5-dimethoxy-4-nitrophenyl) phenyl ketone structure
68556-19-4 structure
Product Name:(2,5-dimethoxy-4-nitrophenyl) phenyl ketone
CAS No:68556-19-4
MF:C15H13NO5
MW:287.267424345016
CID:971313
PubChem ID:101432
Update Time:2025-04-19

(2,5-dimethoxy-4-nitrophenyl) phenyl ketone Chemical and Physical Properties

Names and Identifiers

    • (2,5-dimethoxy-4-nitrophenyl) phenyl ketone
    • (2,5-dimethoxy-4-nitrophenyl)-phenylmethanone
    • 2,5-Dimethoxy-4-nitrobenzophenone
    • AC1L2QTS
    • AC1Q1YRF
    • AR-1D4381
    • EINECS 271-479-3
    • NSC517874
    • NSC-517874
    • Methanone,5-dimethoxy-4-nitrophenyl)phenyl-
    • NSC 517874
    • DTXSID3071690
    • 68556-19-4
    • NS00036658
    • Methanone, (2,5-dimethoxy-4-nitrophenyl)phenyl-
    • KDRDNGACIHSNME-UHFFFAOYSA-N
    • Inchi: 1S/C15H13NO5/c1-20-13-9-12(16(18)19)14(21-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3
    • InChI Key: KDRDNGACIHSNME-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=CC=1C(C1C=CC=CC=1)=O)OC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 287.07939
  • Monoisotopic Mass: 287.079373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 375
  • 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
  • Topological Polar Surface Area: 81.4
  • XLogP3: 3

Experimental Properties

  • Density: 1.263
  • Boiling Point: 485.7°C at 760 mmHg
  • Flash Point: 217.5°C
  • Refractive Index: 1.582
  • PSA: 78.67
  • LogP: 3.36620
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