Cas no 253678-93-2 ([1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano-)

[1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano- structure
253678-93-2 structure
Product Name:[1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano-
CAS No:253678-93-2
MF:C14H9NO2
MW:223.226763486862
MDL:MFCD04117360
CID:246694
PubChem ID:2757950
Update Time:2025-08-05

[1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano-
    • 3-(3-Cyanophenyl)benzoic acid
    • 3'-CYANO-BIPHENYL-3-CARBOXYLIC ACID
    • 3-Chloro-N-[(phenylthio)methyl]benzenamine
    • 3'-Cyano-[1,1'-biphenyl]-3-carboxylicacid
    • 3'-cyano[1,1'-biphenyl]-3-carboxylic acid
    • 253878-93-2
    • AKOS004117518
    • J-015976
    • BB 0223039
    • 3'-Cyano-[1,1'-biphenyl]-3-carboxylic acid
    • DTXSID30948209
    • MFCD04117360
    • 253678-93-2
    • CS-0207350
    • SCHEMBL5529069
    • BS-24888
    • CHEMBL2089277
    • 3'-cyanobiphenyl-3-carboxylic acid
    • MDL: MFCD04117360
    • Inchi: 1S/C14H9NO2/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-8H,(H,16,17)
    • InChI Key: BFOFVXTZGJGLES-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)C1C=CC=C(C#N)C=1)=O

Computed Properties

  • Exact Mass: 237.07903
  • Monoisotopic Mass: 223.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 330
  • 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: 2.8
  • Topological Polar Surface Area: 61.1?2

Experimental Properties

  • PSA: 50.09

[1,1'-Biphenyl]-3-carboxylicacid, 3'-cyano- Pricemore >>

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