Cas no 112148-10-4 (1,2-dimethoxy-4-(3-nitrophenyl)benzene)

1,2-dimethoxy-4-(3-nitrophenyl)benzene structure
112148-10-4 structure
Product Name:1,2-dimethoxy-4-(3-nitrophenyl)benzene
CAS No:112148-10-4
MF:C14H13NO4
MW:259.257323980331
CID:2608139
PubChem ID:57106071
Update Time:2025-04-21

1,2-dimethoxy-4-(3-nitrophenyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-dimethoxy-4-(3-nitrophenyl)benzene
    • DTXSID80720310
    • 112148-10-4
    • 3,4-Dimethoxy-3'-nitro-1,1'-biphenyl
    • Inchi: 1S/C14H13NO4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3
    • InChI Key: BBUBCCWLYZQVBX-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)C1C=CC=C(C=1)[N+](=O)[O-])OC

Computed Properties

  • Exact Mass: 259.08445790Da
  • Monoisotopic Mass: 259.08445790Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 304
  • 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: 64.3?2
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