Cas no 882689-28-3 ((5-chlorobiphenyl-2-yl)acetic acid)

(5-chlorobiphenyl-2-yl)acetic acid structure
882689-28-3 structure
Product Name:(5-chlorobiphenyl-2-yl)acetic acid
CAS No:882689-28-3
MF:C14H11ClO2
MW:246.688943147659
CID:2137773
PubChem ID:11622910
Update Time:2025-04-21

(5-chlorobiphenyl-2-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • (5-chlorobiphenyl-2-yl)acetic acid
    • SCHEMBL5429296
    • 882689-28-3
    • DB-299858
    • Inchi: 1S/C14H11ClO2/c15-12-7-6-11(8-14(16)17)13(9-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
    • InChI Key: JLHBBLXJAAXQOA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(CC(=O)O)=C(C=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 246.0447573Da
  • Monoisotopic Mass: 246.0447573Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 261
  • 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: 3.6
  • Topological Polar Surface Area: 37.3?2
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