Cas no 893641-22-0 (3'-Chloro-biphenyl-4-propanoic acid)

3'-Chloro-biphenyl-4-propanoic acid structure
893641-22-0 structure
Product Name:3'-Chloro-biphenyl-4-propanoic acid
CAS No:893641-22-0
MF:C15H13ClO2
MW:260.715523481369
CID:859343
Update Time:2023-08-03

3'-Chloro-biphenyl-4-propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3'-Chloro-biphenyl-4-propanoic acid
    • Inchi: 1S/C15H13ClO2/c16-14-3-1-2-13(10-14)12-7-4-11(5-8-12)6-9-15(17)18/h1-5,7-8,10H,6,9H2,(H,17,18)
    • InChI Key: IXDNSJJRSZSCKY-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1C=CC(=CC=1)CCC(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 272
  • XLogP3: 4.3
  • Topological Polar Surface Area: 37.3

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