Cas no 1261519-01-0 (5-Chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid)

5-Chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid structure
1261519-01-0 structure
Product Name:5-Chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid
CAS No:1261519-01-0
MF:C14H8ClF3O3
MW:316.659733772278
MDL:MFCD18322418
CID:2761243
PubChem ID:53228243
Update Time:2025-04-21

5-Chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • MFCD18322418
    • A1-34622
    • DTXSID60691776
    • 1261519-01-0
    • 5-CHLORO-3-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID
    • 5-Chloro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid
    • 5-Chloro-3'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid
    • MDL： MFCD18322418
    • Inchi： 1S/C14H8ClF3O3/c15-11-5-9(4-10(6-11)13(19)20)8-2-1-3-12(7-8)21-14(16,17)18/h1-7H,(H,19,20)
    • InChI Key： XCGXXBVSAXNLST-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C(=O)O)C=C(C=1)C1C=CC=C(C=1)OC(F)(F)F

Computed Properties

  • Exact Mass: 316.0114063Da
  • Monoisotopic Mass: 316.0114063Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 375
  • 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: 4.9
  • Topological Polar Surface Area: 46.5?2

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