Cas no 106104-82-9 (4-chloro-2-fluoro-5-propan-2-yloxyphenol)

4-chloro-2-fluoro-5-propan-2-yloxyphenol structure
106104-82-9 structure
Product Name:4-chloro-2-fluoro-5-propan-2-yloxyphenol
CAS No:106104-82-9
MF:C9H10ClFO2
MW:204.625905513763
CID:1174505
PubChem ID:15595929
Update Time:2025-04-20

4-chloro-2-fluoro-5-propan-2-yloxyphenol Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-2-fluoro-5-propan-2-yloxyphenol
    • 106104-82-9
    • 4-Chloro-2-fluoro-5-[(propan-2-yl)oxy]phenol
    • DTXSID30575413
    • Inchi: 1S/C9H10ClFO2/c1-5(2)13-9-4-8(12)7(11)3-6(9)10/h3-5,12H,1-2H3
    • InChI Key: BMCOOSLUTJXHQX-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=C(C=C1OC(C)C)O)F

Computed Properties

  • Exact Mass: 204.0354
  • Monoisotopic Mass: 204.0353354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 166
  • 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: 3.1
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46
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