Cas no 893743-08-3 ([1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro-)

[1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro- structure
893743-08-3 structure
Product Name:[1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro-
CAS No:893743-08-3
MF:C13H9NO3
MW:227.215463399887
CID:714694
PubChem ID:23005003
Update Time:2025-04-19

[1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro-
    • 3-(3-Nitrophenyl)benzaldehyde
    • [1,1'-Biphenyl]-3-carboxaldehyde,3'-nitro
    • 5'-nitrobiphenyl-3-carbaldehyde
    • DTXSID80629596
    • 3'-Nitro[1,1'-biphenyl]-3-carbaldehyde
    • 893743-08-3
    • AKOS004117213
    • Inchi: 1S/C13H9NO3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H
    • InChI Key: LEXUSHONXSYRMN-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC(=C1)C1C=CC=C(C=O)C=1)=O

Computed Properties

  • Exact Mass: 227.05800
  • Monoisotopic Mass: 227.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 287
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 62.9?2

Experimental Properties

  • PSA: 62.89000
  • LogP: 3.59750
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