Cas no 1250444-23-5 (3-Bromo-2,6-difluorobenzonitrile)

3-Bromo-2,6-difluorobenzonitrile structure
1250444-23-5 structure
Product Name:3-Bromo-2,6-difluorobenzonitrile
CAS No:1250444-23-5
MF:C7H2BrF2N
MW:217.998287677765
MDL:MFCD16987589
CID:4564660
PubChem ID:56604707
Update Time:2024-11-02

3-Bromo-2,6-difluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-2,6-difluorobenzonitrile
    • 3-bromo-2,6-difluoro-Benzonitrile
    • AK411634
    • IORVOBJVFPHSKR-UHFFFAOYSA-N
    • CS-0087931
    • 1250444-23-5
    • SY059048
    • DS-18697
    • SCHEMBL2729265
    • C71986
    • MFCD16987589
    • AKOS023098190
    • MDL: MFCD16987589
    • Inchi: 1S/C7H2BrF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H
    • InChI Key: IORVOBJVFPHSKR-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(C#N)=C1F)F

Computed Properties

  • Exact Mass: 216.93387 g/mol
  • Monoisotopic Mass: 216.93387 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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: 2.5
  • Topological Polar Surface Area: 23.8
  • Molecular Weight: 218.00

3-Bromo-2,6-difluorobenzonitrile Pricemore >>

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