Cas no 72912-39-1 (BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-)

BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY- structure
72912-39-1 structure
Product Name:BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-
CAS No:72912-39-1
MF:C10H10BrNO2
MW:256.095901966095
CID:3371731
PubChem ID:10706206
Update Time:2025-04-21

BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY- Chemical and Physical Properties

Names and Identifiers

    • BENZENEACETONITRILE, 2-BROMO-3,4-DIMETHOXY-
    • DTXSID301276142
    • AKOS022665275
    • F94688
    • SCHEMBL150075
    • 2-Bromo-3,4-dimethoxybenzeneacetonitrile
    • Z600583798
    • 72912-39-1
    • 2-(2-bromo-3,4-dimethoxyphenyl)acetonitrile
    • Inchi: 1S/C10H10BrNO2/c1-13-8-4-3-7(5-6-12)9(11)10(8)14-2/h3-4H,5H2,1-2H3
    • InChI Key: DUDRWPAFARHZKZ-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=CC=1CC#N)OC)OC

Computed Properties

  • Exact Mass: 254.98949Da
  • Monoisotopic Mass: 254.98949Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • 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: 2.2
  • Topological Polar Surface Area: 42.3?2
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