Cas no 175610-69-2 (1,1'-Biphenyl, 4'-chloro-2-fluoro-3-methyl-5-nitro-)

1,1'-Biphenyl, 4'-chloro-2-fluoro-3-methyl-5-nitro- structure
175610-69-2 structure
Product Name:1,1'-Biphenyl, 4'-chloro-2-fluoro-3-methyl-5-nitro-
CAS No:175610-69-2
MF:C13H9ClFNO2
MW:265.667465925217
CID:3815026
PubChem ID:10611752
Update Time:2025-04-22

1,1'-Biphenyl, 4'-chloro-2-fluoro-3-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4'-chloro-2-fluoro-3-methyl-5-nitro-
    • 4a(2)-Chloro-2-fluoro-3-methyl-5-nitro-1,1a(2)-biphenyl
    • 175610-69-2
    • 4'-Chloro-2-fluoro-3-methyl-5-nitro-1,1'-biphenyl
    • DTXSID401232125
    • Inchi: 1S/C13H9ClFNO2/c1-8-6-11(16(17)18)7-12(13(8)15)9-2-4-10(14)5-3-9/h2-7H,1H3
    • InChI Key: WAENQJPPLGQZRV-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1=CC(=CC(C)=C1F)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 265.0305844Da
  • Monoisotopic Mass: 265.0305844Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 302
  • 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: 4.5
  • Topological Polar Surface Area: 45.8?2
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