Cas no 113258-92-7 (Benzoyl chloride, 2-iodo-4,5-dimethoxy-)

Benzoyl chloride, 2-iodo-4,5-dimethoxy- structure
113258-92-7 structure
Product Name:Benzoyl chloride, 2-iodo-4,5-dimethoxy-
CAS No:113258-92-7
MF:C9H8ClIO3
MW:326.515494346619
CID:1201373
PubChem ID:11023873
Update Time:2025-04-20

Benzoyl chloride, 2-iodo-4,5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride, 2-iodo-4,5-dimethoxy-
    • 2-iodo-4,5-dimethoxybenzoyl chloride
    • DTXSID40452327
    • SCHEMBL9348910
    • 113258-92-7
    • Inchi: 1S/C9H8ClIO3/c1-13-7-3-5(9(10)12)6(11)4-8(7)14-2/h3-4H,1-2H3
    • InChI Key: MMKOKTKTGNXIKS-UHFFFAOYSA-N
    • SMILES: IC1=CC(=C(C=C1C(=O)Cl)OC)OC

Computed Properties

  • Exact Mass: 242.0579
  • Monoisotopic Mass: 325.92067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 52.6
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