Cas no 1008773-97-4 (3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid)

3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid structure
1008773-97-4 structure
Product Name:3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
CAS No:1008773-97-4
MF:C15H11F3O2
MW:280.241854906082
MDL:MFCD18321753
CID:1086062
Update Time:2025-04-20

3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid
    • 3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
    • 3-Methyl-4-(3-trifluoroMethylphenyl)benzoic acid
    • 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
    • MDL: MFCD18321753
    • Inchi: 1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)
    • InChI Key: LCVZKPOQZIJLSS-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=CC(=C1)C1C=CC(C(=O)O)=CC=1C)(F)F

Computed Properties

  • Exact Mass: 280.071114g/mol
  • Monoisotopic Mass: 280.071114g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 354
  • 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
  • Molecular Weight: 280.24g/mol
  • XLogP3: 4.3
  • Topological Polar Surface Area: 37.3?2

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