Cas no 55368-68-8 (Acetyl chloride, (4-cyanophenoxy)-)

Acetyl chloride, (4-cyanophenoxy)- structure
55368-68-8 structure
Product Name:Acetyl chloride, (4-cyanophenoxy)-
CAS No:55368-68-8
MF:C9H6ClNO2
MW:195.602441310883
CID:352155
PubChem ID:12207748
Update Time:2025-04-19

Acetyl chloride, (4-cyanophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Acetyl chloride, (4-cyanophenoxy)-
    • 2-(4-cyanophenoxy)acetyl chloride
    • 55368-68-8
    • SCHEMBL15647515
    • DTXSID30480477
    • VQSZCLLHOOHTKQ-UHFFFAOYSA-N
    • Inchi: 1S/C9H6ClNO2/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-4H,6H2
    • InChI Key: VQSZCLLHOOHTKQ-UHFFFAOYSA-N
    • SMILES: ClC(COC1C=CC(C#N)=CC=1)=O

Computed Properties

  • Exact Mass: 195.00878
  • Monoisotopic Mass: 195.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 1.9
  • Topological Polar Surface Area: 50.1?2

Experimental Properties

  • PSA: 50.09
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