Cas no 1082674-24-5 (6-bromoisoquinoline-1-carbonitrile)

6-bromoisoquinoline-1-carbonitrile structure
1082674-24-5 structure
Product Name:6-bromoisoquinoline-1-carbonitrile
CAS No:1082674-24-5
MF:C10H5BrN2
MW:233.064100980759
MDL:MFCD18633063
CID:1185614
PubChem ID:77174826
Update Time:2025-09-26

6-bromoisoquinoline-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-bromoisoquinoline-1-carbonitrile
    • 6-bromo-1-Isoquinolinecarbonitrile
    • SB18053
    • MFCD18633063
    • DB-059723
    • 1082674-24-5
    • SY070024
    • CS-0440643
    • WS-01122
    • AC8298
    • SCHEMBL15753496
    • MDL： MFCD18633063
    • Inchi： 1S/C10H5BrN2/c11-8-1-2-9-7(5-8)3-4-13-10(9)6-12/h1-5H
    • InChI Key： NOTGHQFEQASFGA-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2C(C#N)=NC=CC=2C=1

Computed Properties

  • Exact Mass: 231.96361g/mol
  • Monoisotopic Mass: 231.96361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • 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: 2.8
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.66±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 152 oC
  • Solubility: Very slightly soluble (0.12 g/l) (25 o C),

6-bromoisoquinoline-1-carbonitrile Pricemore >>

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