Cas no 25922-05-8 (1-iodo-2-methoxy-3-methylbenzene)

1-iodo-2-methoxy-3-methylbenzene structure
25922-05-8 structure
Product Name:1-iodo-2-methoxy-3-methylbenzene
CAS No:25922-05-8
MF:C8H9IO
MW:248.060934782028
MDL:MFCD12547889
CID:3168314
PubChem ID:11831772
Update Time:2025-04-21

1-iodo-2-methoxy-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-iodo-2-methoxy-3-methylbenzene
    • MDL: MFCD12547889
    • Inchi: 1S/C8H9IO/c1-6-4-3-5-7(9)8(6)10-2/h3-5H,1-2H3
    • InChI Key: KFBPVUFEPLMJGM-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC(C)=C1OC

Computed Properties

  • Exact Mass: 247.96981g/mol
  • Monoisotopic Mass: 247.96981g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: 3.3
  • Topological Polar Surface Area: 9.2?2

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