Cas no 920269-80-3 (2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid)

2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid structure
920269-80-3 structure
Product Name:2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid
CAS No:920269-80-3
MF:C21H25FO2
MW:328.420409917831
CID:758890
Update Time:2023-08-03

2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-octyl-
    • 3-fluoro-4-(4-octylphenyl)benzoic acid
    • BDBM50413263
    • 2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid
    • Inchi: 1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21(23)24)15-20(19)22/h9-15H,2-8H2,1H3,(H,23,24)
    • InChI Key: WJSJHHUQCNPEPK-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)O)C=CC=1C1C=CC(=CC=1)CCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 9
  • Complexity: 363
  • Topological Polar Surface Area: 37.3
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