Cas no 62827-45-6 (Benzonitrile, 2-bromo-4,6-dimethoxy-)

Benzonitrile, 2-bromo-4,6-dimethoxy- structure
62827-45-6 structure
Product Name:Benzonitrile, 2-bromo-4,6-dimethoxy-
CAS No:62827-45-6
MF:C9H8BrNO2
MW:242.069321632385
CID:430342
PubChem ID:71382423
Update Time:2025-04-19

Benzonitrile, 2-bromo-4,6-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-bromo-4,6-dimethoxy-
    • 2-bromo-4,6-dimethoxybenzonitrile
    • 62827-45-6
    • DTXSID60804804
    • Inchi： 1S/C9H8BrNO2/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-4H,1-2H3
    • InChI Key： BXWGBYAPMQSRNM-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=C(C=1C#N)OC)OC

Computed Properties

  • Exact Mass: 240.97384
  • Monoisotopic Mass: 240.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 2.3
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25

Benzonitrile, 2-bromo-4,6-dimethoxy- Related Literature

62827-45-6 (Benzonitrile, 2-bromo-4,6-dimethoxy-) Related Products

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