Cas no 41640-86-2 (1,2-Benzenediacetyl dichloride)

1,2-Benzenediacetyl dichloride structure
41640-86-2 structure
Product Name:1,2-Benzenediacetyl dichloride
CAS No:41640-86-2
MF:C10H8Cl2O2
MW:231.07532119751
CID:2635787
PubChem ID:12299373
Update Time:2025-04-21

1,2-Benzenediacetyl dichloride Chemical and Physical Properties

Names and Identifiers

    • 2-[2-(2-chloro-2-oxoethyl)phenyl]acetyl chloride
    • SCHEMBL6767819
    • DTXSID20486226
    • 41640-86-2
    • DTXCID20437036
    • 1,2-Benzenediacetyl dichloride
    • Inchi: 1S/C10H8Cl2O2/c11-9(13)5-7-3-1-2-4-8(7)6-10(12)14/h1-4H,5-6H2
    • InChI Key: YEJUQTIBEAGTGS-UHFFFAOYSA-N
    • SMILES: ClC(CC1C=CC=CC=1CC(=O)Cl)=O

Computed Properties

  • Exact Mass: 229.9901349Da
  • Monoisotopic Mass: 229.9901349Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 204
  • 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: 2.8
  • Topological Polar Surface Area: 34.1?2
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