Cas no 116272-40-3 (4-chloro-1-fluoro-2-phenoxybenzene)

4-chloro-1-fluoro-2-phenoxybenzene structure
116272-40-3 structure
Product Name:4-chloro-1-fluoro-2-phenoxybenzene
CAS No:116272-40-3
MF:C12H8ClFO
MW:222.642725944519
CID:2614406
PubChem ID:19849254
Update Time:2025-04-21

4-chloro-1-fluoro-2-phenoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1-fluoro-2-phenoxybenzene
    • 116272-40-3
    • DTXCID80551348
    • DTXSID10600590
    • Benzene, 4-chloro-1-fluoro-2-phenoxy-
    • SCHEMBL10487337
    • Inchi: 1S/C12H8ClFO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H
    • InChI Key: ZLZRKYLIFRXFNI-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=C1)OC1C=CC=CC=1)F

Computed Properties

  • Exact Mass: 222.0247707Da
  • Monoisotopic Mass: 222.0247707Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 194
  • 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: 4.2
  • Topological Polar Surface Area: 9.2?2
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