Cas no 1439900-45-4 (1-(4-Fluorobenzyl)cyclobutanecarboxylic acid)

1-(4-Fluorobenzyl)cyclobutanecarboxylic acid structure
1439900-45-4 structure
Product Name:1-(4-Fluorobenzyl)cyclobutanecarboxylic acid
CAS No:1439900-45-4
MF:C12H13FO2
MW:208.228827238083
CID:5747678
PubChem ID:65194964
Update Time:2024-03-01

1-(4-Fluorobenzyl)cyclobutanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • KS-7966
    • 1439900-45-4
    • 1-(4-Fluorobenzyl)cyclobutanecarboxylic acid
    • 1-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
    • AKOS014529058
    • 1-(4-Fluorobenzyl)cyclobutanecarboxylicacid
    • MDL: MFCD20882563
    • Inchi: 1S/C12H13FO2/c13-10-4-2-9(3-5-10)8-12(11(14)15)6-1-7-12/h2-5H,1,6-8H2,(H,14,15)
    • InChI Key: XRBNEEQKZXIPJN-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CC1(C(=O)O)CCC1

Computed Properties

  • Exact Mass: 208.09
  • Monoisotopic Mass: 208.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 240
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 2.7
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