Cas no 91901-16-5 (1,1'-Biphenyl, 5-methoxy-2-nitro-)

1,1'-Biphenyl, 5-methoxy-2-nitro- structure
91901-16-5 structure
Product Name:1,1'-Biphenyl, 5-methoxy-2-nitro-
CAS No:91901-16-5
MF:C13H11NO3
MW:229.231343507767
CID:767157
PubChem ID:15486597
Update Time:2025-04-19

1,1'-Biphenyl, 5-methoxy-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 5-methoxy-2-nitro-
    • 4-methoxy-1-nitro-2-phenylbenzene
    • DTXSID70573231
    • 91901-16-5
    • SCHEMBL9312797
    • XNIXNFJHWHWYFG-UHFFFAOYSA-N
    • 5-Methoxy-2-nitro-1,1'-biphenyl
    • 5-methoxy-2-nitrobiphenyl
    • Inchi: 1S/C13H11NO3/c1-17-11-7-8-13(14(15)16)12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
    • InChI Key: XNIXNFJHWHWYFG-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=C(C=1)C1C=CC=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 229.07389321g/mol
  • Monoisotopic Mass: 229.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 258
  • 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: 55?2
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